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Molecule
N-Methyl-2-Pyrrolidone
CAS: 872-50-4 · C5H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 872-50-4
- Molecular Formula
- C5H9NO
- Molecular Mass
- 99.13 g/mol
Identifiers
CAS Registry Number
872-50-4
SMILES
CN1CCCC1=O
InChI Key
SECXISVLQFMRJM-UHFFFAOYSA-N
InChI
InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
Names and Synonyms
- N-Methyl-2-Pyrrolidone Common Name
- 2-Pyrrolidinone, 1-methyl- Synonym
- 2-Pyrrolidone, 1-methyl- Synonym
- 1-Methyl-2-pyrrolidinone Synonym
- N-Methylpyrrolidinone Synonym
- 1-Methyl-5-pyrrolidinone Synonym
- NMP Synonym
- N-Methyl-2-pyrrolidone Synonym
- N-Methyl-α-pyrrolidinone Synonym
- N-Methyl-α-pyrrolidone Synonym
- N-Methyl-γ-butyrolactam Synonym
- N-Methyl-2-pyrrolidinone Synonym
- N-Methylpyrrolidone Synonym
- M-Pyrol Synonym
- 1-Methylazacyclopentan-2-one Synonym
- 1-Methyl-2-pyrrolidone Synonym
- Pyrol M Synonym
- N-Methylpyrrolidone Synonym
- AgsolEx 1 Synonym
- N 0131 Synonym
- Microposit 2001 Synonym
- N-Methyl-2-ketopyrrolidine Synonym
- N-Methylbutyrolactam Synonym
- Pharmasolve Synonym
- SL 1332 Synonym
- NSC 4594 Synonym
- N-Methylpyrrolidine-2-one Synonym
- M 0418 Synonym
- EKOS 1 Synonym
- NMP 1165 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 99.13 g/mol | CAS Common Chemistry |
| 99.133 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.027 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N-Methyl-2-pyrrolidone | CAS Common Chemistry |
| Canonical SMILES | O=C1N(C)CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SECXISVLQFMRJM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -25 °C | CAS Common Chemistry |
| Name | N-Methyl-2-pyrrolidone | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | 0.23859999999999992 | RDKit |
| 0.2386 | RDKit | |
| Molar Refractivity | 26.870999999999988 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 99.068413908 g/mol | RDKit |
| Boiling Point | 202 °C @ 760 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
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MW = 99.13 g/mol; density = 1.030 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H9NO.
