2-methylidene-1H-pyrrol-3-one

C5H5NO — CID 11040630

IUPAC2-methylidene-1H-pyrrol-3-one
SMILESC=C1NC=CC1=O
InChIInChI=1S/C5H5NO/c1-4-5(7)2-3-6-4/h2-3,6H,1H2
InChIKeyYJZLFRFUAHLYBR-UHFFFAOYSA-N
MW95.10 g/mol
LogP0.19
Rot. Bonds

About 2-methylidene-1H-pyrrol-3-one

2-methylidene-1H-pyrrol-3-one (PubChem CID 11040630) has the molecular formula C5H5NO and a molecular weight of 95.10 g/mol. Its IUPAC name is 2-methylidene-1H-pyrrol-3-one.

Molecular Properties

Compound Name2-methylidene-1H-pyrrol-3-one
PubChem CID11040630
Molecular FormulaC5H5NO
Molecular Weight95.10 g/mol
Exact Mass95.04
IUPAC Name2-methylidene-1H-pyrrol-3-one
SMILESC=C1NC=CC1=O
InChIInChI=1S/C5H5NO/c1-4-5(7)2-3-6-4/h2-3,6H,1H2
InChIKeyYJZLFRFUAHLYBR-UHFFFAOYSA-N
XLogP0.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.10
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methylidene-1H-pyrrol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Aminopyridin-4-ol
CID 233392
3-Amino-2-fluoropyridin-4-ol
CID 130923611
1,2-Dihydro-3H-pyrrol-3-one
CID 13740449
3-Aminopyrrolinone
CID 129795814
Oxopyrroline oxide
CID 129814675
2-(Fluoromethyl)-1,2-dihydropyrrol-3-one
CID 173378861
Bromomethylenepyrrolinone
CID 129706931
Dimethylaminomethylene-2-pyrrolin-4-one
CID 129780161
1-(1,4-Dihydropyrazin-2-yl)ethanone
CID 53350347
4-(Dimethylamino)-3-(methylamino)but-3-en-2-one
CID 535693
3-Buten-2-one, 4-(dimethylamino)-3-(methylamino)-
CID 5362980
(E)-4-(dimethylamino)-3-(methylamino)but-3-en-2-one
CID 177484186

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1H-pyrrol-3-one?
The IUPAC name of 2-methylidene-1H-pyrrol-3-one (CID 11040630) is 2-methylidene-1H-pyrrol-3-one.
What is the SMILES notation for 2-methylidene-1H-pyrrol-3-one?
The canonical SMILES for 2-methylidene-1H-pyrrol-3-one is C=C1NC=CC1=O.
What is the InChIKey of 2-methylidene-1H-pyrrol-3-one?
The InChIKey is YJZLFRFUAHLYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO/c1-4-5(7)2-3-6-4/h2-3,6H,1H2.
What are the key properties of 2-methylidene-1H-pyrrol-3-one?
2-methylidene-1H-pyrrol-3-one has a molecular weight of 95.10 g/mol, XLogP of 0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1H-pyrrol-3-one is sourced from PubChem (CID 11040630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).