2H-Pyrrol-2-one

HCID 14246795

Notes Reactions

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Basic information

CAS: 54036-77-0
Standard SMILES: O=C1C=CC=N1
InChIKey: VIXWGKYSYIBATJ-UHFFFAOYSA-N
Molecular formula: C4H3NO
Average molar mass: 81.07 g/mol
Monoisotopic mass: 81.02146372

Names & identifiers

Preferred name: 2H-Pyrrol-2-one
IUPAC: pyrrol-2-one

Names & synonyms

2H-Pyrrol-2-one54036-77-0DTXSID50557938RefChem:269136DTXCID70508720pyrroloneSCHEMBL198820SCHEMBL255876SCHEMBL2044006SCHEMBL6797999VIXWGKYSYIBATJ-UHFFFAOYSA-N

Database identifiers

CAS: 54036-77-0
PubChem CID: 14246795
DTXSID: DTXSID50557938
Nikkaji: J685.329C

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 29.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 124

Related reactions

1 records

New reaction record

HRID 1742927As reactantuspto-grants-1994_08

Compound notes

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