Back to Search
Molecule
1-(3-Hydroxypropyl)-2-Pyrrolidinone
CAS: 62012-15-1 · C7H13NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 62012-15-1
- Molecular Formula
- C7H13NO2
- Molecular Mass
- 143.19 g/mol
Identifiers
CAS Registry Number
62012-15-1
SMILES
O=C1CCCN1CCCO
InChI Key
CVDGNRZPDAXOQO-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO2/c9-6-2-5-8-4-1-3-7(8)10/h9H,1-6H2
Names and Synonyms
- 1-(3-Hydroxypropyl)-2-Pyrrolidinone Synonym
- 2-Pyrrolidinone, 1-(3-hydroxypropyl)- Synonym
- 1-(3-Hydroxypropyl)-2-pyrrolidinone Synonym
- 1-(3-Hydroxypropyl)-2-pyrrolidone Synonym
- 1-(3-Hydroxy-1-propyl)-2-pyrrolidone Synonym
- 1-(3-Hydroxypropyl)-2-pyrrolidineone Synonym
- 3-(2-Oxopyrrolidin-1-yl)propanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 143.19 g/mol | CAS Common Chemistry |
| 143.18600000000004 g/mol | RDKit | |
| 143.186 g/mol | RDKit | |
| Canonical SMILES | O=C1N(CCCO)CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H13NO2/c9-6-2-5-8-4-1-3-7(8)10/h9H,1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CVDGNRZPDAXOQO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(3-Hydroxypropyl)-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 | 40.540000000000006 Ų | RDKit |
| 40.54 Ų | RDKit | |
| 40.31 Ų | chempirical lib | |
| LogP | -0.008799999999999863 | RDKit |
| -0.0088 | RDKit | |
| Molar Refractivity | 37.516799999999996 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 143.094628656 g/mol | RDKit |
| Boiling Point | 138-140 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
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
Convert
Quick conversion
MW = 143.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H13NO2.
2-Butenoic acid, 3-amino-, 1-methylethyl ester
CAS 14205-46-0
Methyl (3R)-3-Piperidinecarboxylate
CAS 164323-85-7
Ethyl (2E)-3-(Dimethylamino)-2-Propenoate
CAS 1117-37-9
1,4-Dioxa-8-Azaspiro[4.5]Decane
CAS 177-11-7
4-Aminocyclohexanecarboxylic Acid
CAS 1776-53-0
3,3-Diethoxypropionitrile
CAS 2032-34-0
