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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
Names and Synonyms:
N-Methyl-2-Pyrrolidone
2-Pyrrolidinone, 1-methyl-
2-Pyrrolidone, 1-methyl-
1-Methyl-2-pyrrolidinone
N-Methylpyrrolidinone
1-Methyl-5-pyrrolidinone
NMP
N-Methyl-2-pyrrolidone
N-Methyl-α-pyrrolidinone
N-Methyl-α-pyrrolidone
N-Methyl-γ-butyrolactam
N-Methyl-2-pyrrolidinone
N-Methylpyrrolidone
M-Pyrol
1-Methylazacyclopentan-2-one
1-Methyl-2-pyrrolidone
Pyrol M
N-Methylpyrrolidone
AgsolEx 1
N 0131
Microposit 2001
N-Methyl-2-ketopyrrolidine
N-Methylbutyrolactam
Pharmasolve
SL 1332
NSC 4594
N-Methylpyrrolidine-2-one
M 0418
EKOS 1
NMP 1165
Identifiers:
SMILES:
CN1CCCC1=O
InChI:
InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
Key Properties
Boiling Point
202 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-25 °C
CAS Common Chemistry
Density
1.03 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 99.13 g/mol | CAS Common Chemistry |
| 99.133 g/mol | RDKit | |
| 99.068413908 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.027 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N-Methyl-2-pyrrolidone | CAS Common Chemistry |
| Boiling Point | 202 °C @ Press: 760 Torr | 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 |
| LogP | 0.23859999999999992 | RDKit |
| Molar Refractivity | 26.870999999999988 | RDKit |
