(4E)-5-(4-azidophenyl)-1-phenylpenta-2,4-dien-1-one

C17H13N3O — CID 174058318

IUPAC(4E)-5-(4-azidophenyl)-1-phenylpenta-2,4-dien-1-one
SMILES[N-]=[N+]=Nc1ccc(/C=C/C=CC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H13N3O/c18-20-19-16-12-10-14(11-13-16)6-4-5-9-17(21)15-7-2-1-3-8-15/h1-13H/b6-4+,9-5?
InChIKeyPGLCUHGDRQLXOP-KNMNDLNKSA-N
MW275.31 g/mol
LogP5.08
Rot. Bonds5

About (4E)-5-(4-azidophenyl)-1-phenylpenta-2,4-dien-1-one

(4E)-5-(4-azidophenyl)-1-phenylpenta-2,4-dien-1-one (PubChem CID 174058318) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is (4E)-5-(4-azidophenyl)-1-phenylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(4E)-5-(4-azidophenyl)-1-phenylpenta-2,4-dien-1-one
PubChem CID174058318
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name(4E)-5-(4-azidophenyl)-1-phenylpenta-2,4-dien-1-one
SMILES[N-]=[N+]=Nc1ccc(/C=C/C=CC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H13N3O/c18-20-19-16-12-10-14(11-13-16)6-4-5-9-17(21)15-7-2-1-3-8-15/h1-13H/b6-4+,9-5?
InChIKeyPGLCUHGDRQLXOP-KNMNDLNKSA-N
XLogP5.08
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.31
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one
CID 91521628
CID 158206097
CID 158206097
(2E,4E)-5-(4-hydroxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 134140486
3-(4-azidophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 54106936
1-(4-azidophenyl)-2-phenylethane-1,2-dione
CID 89499580
(2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 10539553
3-[3-(4-azidophenyl)prop-2-enoyl]benzenesulfonic acid
CID 57283860
(2E,4Z)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 92526505
(2Z,4E)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 54612350
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
methyl (E)-3-(4-azidophenyl)prop-2-enoate
CID 11009012
(2E,4E)-1-(4-anilinophenyl)-5-phenylpenta-2,4-dien-1-one
CID 171377751

Frequently Asked Questions

What is the IUPAC name of (4E)-5-(4-azidophenyl)-1-phenylpenta-2,4-dien-1-one?
The IUPAC name of (4E)-5-(4-azidophenyl)-1-phenylpenta-2,4-dien-1-one (CID 174058318) is (4E)-5-(4-azidophenyl)-1-phenylpenta-2,4-dien-1-one.
What is the SMILES notation for (4E)-5-(4-azidophenyl)-1-phenylpenta-2,4-dien-1-one?
The canonical SMILES for (4E)-5-(4-azidophenyl)-1-phenylpenta-2,4-dien-1-one is [N-]=[N+]=Nc1ccc(/C=C/C=CC(=O)c2ccccc2)cc1.
What is the InChIKey of (4E)-5-(4-azidophenyl)-1-phenylpenta-2,4-dien-1-one?
The InChIKey is PGLCUHGDRQLXOP-KNMNDLNKSA-N. The full InChI is InChI=1S/C17H13N3O/c18-20-19-16-12-10-14(11-13-16)6-4-5-9-17(21)15-7-2-1-3-8-15/h1-13H/b6-4+,9-5?.
What are the key properties of (4E)-5-(4-azidophenyl)-1-phenylpenta-2,4-dien-1-one?
(4E)-5-(4-azidophenyl)-1-phenylpenta-2,4-dien-1-one has a molecular weight of 275.31 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-(4-azidophenyl)-1-phenylpenta-2,4-dien-1-one is sourced from PubChem (CID 174058318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).