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Molecule
3-Carbamoyl-2,2,5,5-Tetramethyl-3-Pyrrolin-1-Yloxy
CAS: 3229-73-0 · C9H15N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3229-73-0
- Molecular Formula
- C9H15N2O2
- Molecular Mass
- 183.23 g/mol
Identifiers
CAS Registry Number
3229-73-0
SMILES
CC1(C)C=C(C(=N)O)C(C)(C)N1[O]
InChI Key
RUEXQFPLRRIFTI-UHFFFAOYSA-N
InChI
InChI=1S/C9H15N2O2/c1-8(2)5-6(7(10)12)9(3,4)11(8)13/h5H,1-4H3,(H2,10,12)
Names and Synonyms
- 3-Carbamoyl-2,2,5,5-Tetramethyl-3-Pyrrolin-1-Yloxy Systematic Name
- 1H-Pyrrol-1-yloxy, 3-(aminocarbonyl)-2,5-dihydro-2,2,5,5-tetramethyl- Synonym
- 3-Pyrrolin-1-yloxy, 3-carbamoyl-2,2,5,5-tetramethyl- Synonym
- 3-(Aminocarbonyl)-2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-1-yloxy Synonym
- Tetramethyl-2,2,5,5-aza-1-cyclopentene-3-carboxamide-3-oxide-1 Synonym
- 2,2,5,5-Tetramethyl-4-cyclopentene-4-carboxamide-4-pyrrolidine 1-oxide Synonym
- 2,2,5,5-Tetramethyl-3-carbamidopyrroline 1-oxyl Synonym
- 3-Carbamoyl-2,2,5,5-tetramethylpyrrolin-1-oxyl Synonym
- 2,2,5,5-Tetramethyl-3-pyrroline-1-oxyl-3-carboxamide Synonym
- Tempyo Synonym
- CTPO Synonym
- 3-Carbamoyl-2,2,5,5-tetramethyl-3-pyrrolin-1-yloxyl Synonym
- CARPYR Synonym
- 3-Carbamoyl-2,2,5,5-tetramethyl-3-pyrrolin-1-yloxy Synonym
- 2,2,5,5-Tetramethyl-1-oxypyrroline-3-carboxamide Synonym
- 3-Carbamoyl-2,2,5,5-tetramethyl-3-pyrroline-1-oxyl Synonym
- 2,2,5,5-Tetramethyl-3-carboxamido-2,5-dihydropyrrole-1-oxyl Synonym
- HO 4 Synonym
- Pirolin Synonym
- 3-Carbamoyl-2,2,5,5-tetramethylpyrroline-1-oxyl Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 183.23 g/mol | CAS Common Chemistry |
| 183.231 g/mol | RDKit | |
| 184.239 g/mol | chempirical lib | |
| Canonical SMILES | O=C(N)C1=CC(N([O])C1(C)C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H15N2O2/c1-8(2)5-6(7(10)12)9(3,4)11(8)13/h5H,1-4H3,(H2,10,12) | CAS Common Chemistry |
| InChI Key | InChIKey=RUEXQFPLRRIFTI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-Carbamoyl-2,2,5,5-tetramethyl-3-pyrrolin-1-yloxy | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 67.22 Ų | RDKit |
| LogP | 1.66637 | RDKit |
| 1.6664 | RDKit | |
| 1.56 | chempirical lib | |
| Molar Refractivity | 49.12200000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 183.11335272 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 183.23 g/mol. Edit any field — others recompute live.
