Back to Search
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 Weight:
99.133 g/mol
Names and Synonyms:
N-Methyl-2-Pyrrolidone
N-Methyl-2-pyrrolidone
NMP
1-Methyl-5-pyrrolidinone
N-Methylpyrrolidinone
1-Methyl-2-pyrrolidinone
2-Pyrrolidone, 1-methyl-
2-Pyrrolidinone, 1-methyl-
NMP 1165
EKOS 1
M 0418
N-Methylpyrrolidine-2-one
NSC 4594
SL 1332
Pharmasolve
N-Methylbutyrolactam
N-Methyl-2-ketopyrrolidine
Microposit 2001
N 0131
AgsolEx 1
N-Methylpyrrolidone
Pyrol M
1-Methyl-2-pyrrolidone
1-Methylazacyclopentan-2-one
M-Pyrol
N-Methylpyrrolidone
N-Methyl-2-pyrrolidinone
N-Methyl-γ-butyrolactam
N-Methyl-α-pyrrolidone
N-Methyl-α-pyrrolidinone
Identifiers:
SMILES:
CN1CCCC1=O
InChI:
InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 99.13 g/mol | Legacy Database |
| density | 1.03 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/N-Methyl-2-pyrrolidone None | Legacy Database |
| cas-boiling-point | 202 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | O=C1N(C)CCC1 None | Legacy Database |
| cas-density | 1.027 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=SECXISVLQFMRJM-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -25 °C None | Legacy Database |
| cas-name | N-Methyl-2-pyrrolidone None | Legacy Database |
| wikipedia-name | N-Methyl-2-pyrrolidone None | Legacy Database |
| LogP | 0.23859999999999992 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 99.133 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 99.068413908 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 26.870999999999988 | RDKit |
