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Molecule
N-Cyclohexyl-2-Pyrrolidone
CAS: 6837-24-7 · C10H17NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6837-24-7
- Molecular Formula
- C10H17NO
- Molecular Mass
- 167.25 g/mol
Identifiers
CAS Registry Number
6837-24-7
SMILES
O=C1CCCN1C1CCCCC1
InChI Key
PZYDAVFRVJXFHS-UHFFFAOYSA-N
InChI
InChI=1S/C10H17NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h9H,1-8H2
Names and Synonyms
- N-Cyclohexyl-2-Pyrrolidone Common Name
- 2-Pyrrolidinone, 1-cyclohexyl- Synonym
- 1-Cyclohexyl-2-pyrrolidinone Synonym
- N-Cyclohexylpyrrolidone Synonym
- N-Cyclohexylpyrrolidinone Synonym
- N-Cyclohexyl-2-pyrrolidinone Synonym
- 1-Cyclohexyl-2-pyrrolidone Synonym
- N-Cyclohexyl-2-pyrrolidone Synonym
- CHP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 167.25 g/mol | CAS Common Chemistry |
| 167.25199999999998 g/mol | RDKit | |
| 167.252 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N-Cyclohexyl-2-pyrrolidone | CAS Common Chemistry |
| Canonical SMILES | O=C1N(CCC1)C2CCCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H17NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h9H,1-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PZYDAVFRVJXFHS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Cyclohexyl-2-pyrrolidone | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | 1.9415000000000002 | RDKit |
| 1.9415 | RDKit | |
| Molar Refractivity | 47.82000000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9 | RDKit |
| Exact Mass | 167.131014164 g/mol | RDKit |
| Boiling Point | 94-97 °C @ 0.5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| 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.
External Resources
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MW = 167.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H17NO.
