(5Z)-3-butanoyl-5-[(3-chlorophenyl)methylidene]-4-hydroxypyrrol-2-one

C15H14ClNO3 — CID 54706228

IUPAC(5Z)-3-butanoyl-5-[(3-chlorophenyl)methylidene]-4-hydroxypyrrol-2-one
SMILESCCCC(=O)C1=C(O)/C(=C/c2cccc(Cl)c2)NC1=O
InChIInChI=1S/C15H14ClNO3/c1-2-4-12(18)13-14(19)11(17-15(13)20)8-9-5-3-6-10(16)7-9/h3,5-8,19H,2,4H2,1H3,(H,17,20)/b11-8-
InChIKeyDGJPBECWLZBIBN-FLIBITNWSA-N
MW291.73 g/mol
LogP2.99
Rot. Bonds4

About (5Z)-3-butanoyl-5-[(3-chlorophenyl)methylidene]-4-hydroxypyrrol-2-one

(5Z)-3-butanoyl-5-[(3-chlorophenyl)methylidene]-4-hydroxypyrrol-2-one (PubChem CID 54706228) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is (5Z)-3-butanoyl-5-[(3-chlorophenyl)methylidene]-4-hydroxypyrrol-2-one.

Molecular Properties

Compound Name(5Z)-3-butanoyl-5-[(3-chlorophenyl)methylidene]-4-hydroxypyrrol-2-one
PubChem CID54706228
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name(5Z)-3-butanoyl-5-[(3-chlorophenyl)methylidene]-4-hydroxypyrrol-2-one
SMILESCCCC(=O)C1=C(O)/C(=C/c2cccc(Cl)c2)NC1=O
InChIInChI=1S/C15H14ClNO3/c1-2-4-12(18)13-14(19)11(17-15(13)20)8-9-5-3-6-10(16)7-9/h3,5-8,19H,2,4H2,1H3,(H,17,20)/b11-8-
InChIKeyDGJPBECWLZBIBN-FLIBITNWSA-N
XLogP2.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (5Z)-3-butanoyl-5-[(3-chlorophenyl)methylidene]-4-hydroxypyrrol-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 (5Z)-3-butanoyl-5-[(3-chlorophenyl)methylidene]-4-hydroxypyrrol-2-one?
The IUPAC name of (5Z)-3-butanoyl-5-[(3-chlorophenyl)methylidene]-4-hydroxypyrrol-2-one (CID 54706228) is (5Z)-3-butanoyl-5-[(3-chlorophenyl)methylidene]-4-hydroxypyrrol-2-one.
What is the SMILES notation for (5Z)-3-butanoyl-5-[(3-chlorophenyl)methylidene]-4-hydroxypyrrol-2-one?
The canonical SMILES for (5Z)-3-butanoyl-5-[(3-chlorophenyl)methylidene]-4-hydroxypyrrol-2-one is CCCC(=O)C1=C(O)/C(=C/c2cccc(Cl)c2)NC1=O.
What is the InChIKey of (5Z)-3-butanoyl-5-[(3-chlorophenyl)methylidene]-4-hydroxypyrrol-2-one?
The InChIKey is DGJPBECWLZBIBN-FLIBITNWSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-2-4-12(18)13-14(19)11(17-15(13)20)8-9-5-3-6-10(16)7-9/h3,5-8,19H,2,4H2,1H3,(H,17,20)/b11-8-.
What are the key properties of (5Z)-3-butanoyl-5-[(3-chlorophenyl)methylidene]-4-hydroxypyrrol-2-one?
(5Z)-3-butanoyl-5-[(3-chlorophenyl)methylidene]-4-hydroxypyrrol-2-one has a molecular weight of 291.73 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-butanoyl-5-[(3-chlorophenyl)methylidene]-4-hydroxypyrrol-2-one is sourced from PubChem (CID 54706228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).