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Molecule
1-(3-Aminopropyl)-2-Pyrrolidinone
CAS: 7663-77-6 · C7H14N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7663-77-6
- Molecular Formula
- C7H14N2O
- Molecular Mass
- 142.20 g/mol
Identifiers
CAS Registry Number
7663-77-6
SMILES
NCCCN1CCCC1=O
InChI Key
HJORCZCMNWLHMB-UHFFFAOYSA-N
InChI
InChI=1S/C7H14N2O/c8-4-2-6-9-5-1-3-7(9)10/h1-6,8H2
Names and Synonyms
- 1-(3-Aminopropyl)-2-Pyrrolidinone Synonym
- 2-Pyrrolidinone, 1-(3-aminopropyl)- Synonym
- 1-(3-Aminopropyl)-2-pyrrolidinone Synonym
- N-(3-Aminopropyl)-γ-butyrolactam Synonym
- N-(3-Aminopropyl)-2-pyrrolidinone Synonym
- N-(3-Aminopropyl)-2-pyrrolidone Synonym
- Acisoga Synonym
- 1-(3-Aminopropyl)-2-pyrrolidone Synonym
- 3-(2-Oxo-1-pyrrolidinyl)propylamine Synonym
- 1-(3-Aminopropyl)-2-oxopyrrolidine Synonym
- [3-(2-Oxopyrrolidino)propyl]amine Synonym
- NSC 108683 Synonym
- 1-(3-Aminopropyl)pyrrolidin-2-one Synonym
- 2-Oxo-1-pyrrolidinepropanamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 142.20 g/mol | CAS Common Chemistry |
| 142.202 g/mol | RDKit | |
| Canonical SMILES | O=C1N(CCCN)CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H14N2O/c8-4-2-6-9-5-1-3-7(9)10/h1-6,8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HJORCZCMNWLHMB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(3-Aminopropyl)-2-pyrrolidinone | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.33 Ų | RDKit |
| 46.1 Ų | chempirical lib | |
| LogP | -0.04239999999999999 | RDKit |
| -0.0424 | RDKit | |
| Molar Refractivity | 39.48540000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 142.110613068 g/mol | RDKit |
| Boiling Point | 121-124 °C @ 1.5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 = 142.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H14N2O.
