1-prop-2-enyl-2H-pyrrol-5-one

C7H9NO — CID 23209303

IUPAC1-prop-2-enyl-2H-pyrrol-5-one
SMILESC=CCN1CC=CC1=O
InChIInChI=1S/C7H9NO/c1-2-5-8-6-3-4-7(8)9/h2-4H,1,5-6H2
InChIKeyRCZOFCHIPDBHBB-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.57
Rot. Bonds2

About 1-prop-2-enyl-2H-pyrrol-5-one

1-prop-2-enyl-2H-pyrrol-5-one (PubChem CID 23209303) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 1-prop-2-enyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-prop-2-enyl-2H-pyrrol-5-one
PubChem CID23209303
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name1-prop-2-enyl-2H-pyrrol-5-one
SMILESC=CCN1CC=CC1=O
InChIInChI=1S/C7H9NO/c1-2-5-8-6-3-4-7(8)9/h2-4H,1,5-6H2
InChIKeyRCZOFCHIPDBHBB-UHFFFAOYSA-N
XLogP0.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-prop-2-enyl-2H-pyrrol-5-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-prop-2-enyl-2H-pyrrol-5-one?
The IUPAC name of 1-prop-2-enyl-2H-pyrrol-5-one (CID 23209303) is 1-prop-2-enyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-prop-2-enyl-2H-pyrrol-5-one?
The canonical SMILES for 1-prop-2-enyl-2H-pyrrol-5-one is C=CCN1CC=CC1=O.
What is the InChIKey of 1-prop-2-enyl-2H-pyrrol-5-one?
The InChIKey is RCZOFCHIPDBHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-2-5-8-6-3-4-7(8)9/h2-4H,1,5-6H2.
What are the key properties of 1-prop-2-enyl-2H-pyrrol-5-one?
1-prop-2-enyl-2H-pyrrol-5-one has a molecular weight of 123.15 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-2H-pyrrol-5-one is sourced from PubChem (CID 23209303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).