5-ethylidene-3-hexa-2,4-dien-2-ylpyrrol-2-one

C12H15NO — CID 123525348

IUPAC5-ethylidene-3-hexa-2,4-dien-2-ylpyrrol-2-one
SMILESCC=CC=C(C)C1=CC(=CC)NC1=O
InChIInChI=1S/C12H15NO/c1-4-6-7-9(3)11-8-10(5-2)13-12(11)14/h4-8H,1-3H3,(H,13,14)
InChIKeyJVEVEMATSUIWCW-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.47
Rot. Bonds2

About 5-ethylidene-3-hexa-2,4-dien-2-ylpyrrol-2-one

5-ethylidene-3-hexa-2,4-dien-2-ylpyrrol-2-one (PubChem CID 123525348) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-ethylidene-3-hexa-2,4-dien-2-ylpyrrol-2-one.

Molecular Properties

Compound Name5-ethylidene-3-hexa-2,4-dien-2-ylpyrrol-2-one
PubChem CID123525348
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name5-ethylidene-3-hexa-2,4-dien-2-ylpyrrol-2-one
SMILESCC=CC=C(C)C1=CC(=CC)NC1=O
InChIInChI=1S/C12H15NO/c1-4-6-7-9(3)11-8-10(5-2)13-12(11)14/h4-8H,1-3H3,(H,13,14)
InChIKeyJVEVEMATSUIWCW-UHFFFAOYSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-ethylidene-3-hexa-2,4-dien-2-ylpyrrol-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 5-ethylidene-3-hexa-2,4-dien-2-ylpyrrol-2-one?
The IUPAC name of 5-ethylidene-3-hexa-2,4-dien-2-ylpyrrol-2-one (CID 123525348) is 5-ethylidene-3-hexa-2,4-dien-2-ylpyrrol-2-one.
What is the SMILES notation for 5-ethylidene-3-hexa-2,4-dien-2-ylpyrrol-2-one?
The canonical SMILES for 5-ethylidene-3-hexa-2,4-dien-2-ylpyrrol-2-one is CC=CC=C(C)C1=CC(=CC)NC1=O.
What is the InChIKey of 5-ethylidene-3-hexa-2,4-dien-2-ylpyrrol-2-one?
The InChIKey is JVEVEMATSUIWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-4-6-7-9(3)11-8-10(5-2)13-12(11)14/h4-8H,1-3H3,(H,13,14).
What are the key properties of 5-ethylidene-3-hexa-2,4-dien-2-ylpyrrol-2-one?
5-ethylidene-3-hexa-2,4-dien-2-ylpyrrol-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-3-hexa-2,4-dien-2-ylpyrrol-2-one is sourced from PubChem (CID 123525348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).