1-methyl-3H-pyrrol-2-one

C5H7NO — CID 5325710

IUPAC1-methyl-3H-pyrrol-2-one
SMILESCN1C=CCC1=O
InChIInChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2,4H,3H2,1H3
InChIKeyVIETUFSZPCIVQL-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.36
Rot. Bonds

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

1-methyl-3H-pyrrol-2-one (PubChem CID 5325710) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 1-methyl-3H-pyrrol-2-one.

Molecular Properties

Compound Name1-methyl-3H-pyrrol-2-one
PubChem CID5325710
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name1-methyl-3H-pyrrol-2-one
SMILESCN1C=CCC1=O
InChIInChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2,4H,3H2,1H3
InChIKeyVIETUFSZPCIVQL-UHFFFAOYSA-N
XLogP0.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3H-pyrrol-2-one?
The IUPAC name of 1-methyl-3H-pyrrol-2-one (CID 5325710) is 1-methyl-3H-pyrrol-2-one.
What is the SMILES notation for 1-methyl-3H-pyrrol-2-one?
The canonical SMILES for 1-methyl-3H-pyrrol-2-one is CN1C=CCC1=O.
What is the InChIKey of 1-methyl-3H-pyrrol-2-one?
The InChIKey is VIETUFSZPCIVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2,4H,3H2,1H3.
What are the key properties of 1-methyl-3H-pyrrol-2-one?
1-methyl-3H-pyrrol-2-one has a molecular weight of 97.12 g/mol, XLogP of 0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3H-pyrrol-2-one is sourced from PubChem (CID 5325710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).