1-anilino-5-phenylpenta-1,4-dien-3-one

C17H15NO — CID 3796923

IUPAC1-anilino-5-phenylpenta-1,4-dien-3-one
SMILESO=C(C=CNc1ccccc1)C=Cc1ccccc1
InChIInChI=1S/C17H15NO/c19-17(12-11-15-7-3-1-4-8-15)13-14-18-16-9-5-2-6-10-16/h1-14,18H
InChIKeyGSUJZZKLMWYTIQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.89
Rot. Bonds5

About 1-anilino-5-phenylpenta-1,4-dien-3-one

1-anilino-5-phenylpenta-1,4-dien-3-one (PubChem CID 3796923) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-anilino-5-phenylpenta-1,4-dien-3-one.

Molecular Properties

Compound Name1-anilino-5-phenylpenta-1,4-dien-3-one
PubChem CID3796923
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name1-anilino-5-phenylpenta-1,4-dien-3-one
SMILESO=C(C=CNc1ccccc1)C=Cc1ccccc1
InChIInChI=1S/C17H15NO/c19-17(12-11-15-7-3-1-4-8-15)13-14-18-16-9-5-2-6-10-16/h1-14,18H
InChIKeyGSUJZZKLMWYTIQ-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
CID 161273372
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846
tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
CID 140752753
(2E,5E)-4-oxo-N,6-diphenylhexa-2,5-dienamide
CID 59467578
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
(1Z,4E)-1-hydroxy-5-phenylpenta-1,4-dien-3-one
CID 12748773
(2E,5E)-4-oxo-6-phenylhexa-2,5-dienoic acid
CID 14270149
cesium;carbonic acid;tris(1,5-diphenylpenta-1,4-dien-3-one);hydride;bis(palladium)
CID 174910906
chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;bis(palladium)
CID 102565376

Frequently Asked Questions

What is the IUPAC name of 1-anilino-5-phenylpenta-1,4-dien-3-one?
The IUPAC name of 1-anilino-5-phenylpenta-1,4-dien-3-one (CID 3796923) is 1-anilino-5-phenylpenta-1,4-dien-3-one.
What is the SMILES notation for 1-anilino-5-phenylpenta-1,4-dien-3-one?
The canonical SMILES for 1-anilino-5-phenylpenta-1,4-dien-3-one is O=C(C=CNc1ccccc1)C=Cc1ccccc1.
What is the InChIKey of 1-anilino-5-phenylpenta-1,4-dien-3-one?
The InChIKey is GSUJZZKLMWYTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c19-17(12-11-15-7-3-1-4-8-15)13-14-18-16-9-5-2-6-10-16/h1-14,18H.
What are the key properties of 1-anilino-5-phenylpenta-1,4-dien-3-one?
1-anilino-5-phenylpenta-1,4-dien-3-one has a molecular weight of 249.31 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-5-phenylpenta-1,4-dien-3-one is sourced from PubChem (CID 3796923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).