2-Pyrrolidone

C₄H₇NOCAS 616-45-585.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₇NO
Molar mass: 85.11 g/mol
Exact mass: 85.0528 Da
Density: 1.116 g/mL (at 25 °C)
Melting point: 25 °C
Boiling point: 76 °C (at 0.2 Torr)
pKa: 14.7
Flash point: 129 °C (open cup)
Water solubility: soluble
logP: 0.74Crippen estimate
Polar surface area: 32.6 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H315 Causes skin irritation17.4% of notifiers
H318 Causes serious eye damage12% of notifiers
H319 Causes serious eye irritation65.7% of notifiers
H335 May cause respiratory irritation12.5% of notifiers
H360 May damage fertility or the unborn child18.1% of notifiers
H360D May damage the unborn child24.3% of notifiers

Aggregated from 551 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

616-45-5

SMILES

OC1=NCCC1

InChIKey

HNJBEVLQSNELDL-UHFFFAOYSA-N

InChI

InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

21 names · show all

2-Pyrrolidinone
γ-Butyrolactam
α-Pyrrolidone
γ-Aminobutyric lactam
α-Pyrrolidinone
Butyrolactam
Pyrrolidone
γ-Aminobutyrolactam
2-Oxopyrrolidine
2-Pyrol
4-Aminobutyric acid lactam
γ-Aminobutyric acid lactam
2-Tetrahydropyrrolone
Butanoic acid, 4-amino-, lactam
Azacyclopentan-2-one
NSC 4593
NSC 8413
Soluphor P
2-Oxo-4-butyrolactam
Kollisolv PYR
Pyrrolidin-2-one

Work with 2-Pyrrolidone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Piperidinone675-20-783 % similar Caprolactam105-60-279 % similar Enantholactam673-66-579 % similar Octahydro-2H-azonin-2-one935-30-879 % similar Laurolactam947-04-679 % similar 2-Azetidinone930-21-267 % similar Adelmidrol1675-66-761 % similar Ethylene bis(stearamide)110-30-556 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Methoxypropionitrile110-67-8 Propyl isocyanate110-78-1 2-Methyl-2-oxazoline1120-64-5 Isopropyl isocyanate1795-48-8 Cyclopropanecarboxamide6228-73-5 Cyclopropanecarboxamide6628-73-5 Acetone cyanohydrin75-86-5 Methacrylamide79-39-0

Elsewhere

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