azane;1,5-diphenylpenta-1,4-dien-3-one

C17H17NO — CID 172776077

IUPACazane;1,5-diphenylpenta-1,4-dien-3-one
SMILESN.O=C(C=Cc1ccccc1)C=Cc1ccccc1
InChIInChI=1S/C17H14O.H3N/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;/h1-14H;1H3
InChIKeyZIKVWMRDVZPPHY-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.14
Rot. Bonds4

About azane;1,5-diphenylpenta-1,4-dien-3-one

azane;1,5-diphenylpenta-1,4-dien-3-one (PubChem CID 172776077) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is azane;1,5-diphenylpenta-1,4-dien-3-one.

Molecular Properties

Compound Nameazane;1,5-diphenylpenta-1,4-dien-3-one
PubChem CID172776077
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Nameazane;1,5-diphenylpenta-1,4-dien-3-one
SMILESN.O=C(C=Cc1ccccc1)C=Cc1ccccc1
InChIInChI=1S/C17H14O.H3N/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;/h1-14H;1H3
InChIKeyZIKVWMRDVZPPHY-UHFFFAOYSA-N
XLogP4.14
TPSA52.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.14
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
(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
(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
chloroform;tris(1,5-diphenylpenta-1,4-dien-3-one);palladium
CID 24983555
azane;3-phenylprop-2-enoic acid
CID 66894546

Frequently Asked Questions

What is the IUPAC name of azane;1,5-diphenylpenta-1,4-dien-3-one?
The IUPAC name of azane;1,5-diphenylpenta-1,4-dien-3-one (CID 172776077) is azane;1,5-diphenylpenta-1,4-dien-3-one.
What is the SMILES notation for azane;1,5-diphenylpenta-1,4-dien-3-one?
The canonical SMILES for azane;1,5-diphenylpenta-1,4-dien-3-one is N.O=C(C=Cc1ccccc1)C=Cc1ccccc1.
What is the InChIKey of azane;1,5-diphenylpenta-1,4-dien-3-one?
The InChIKey is ZIKVWMRDVZPPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O.H3N/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;/h1-14H;1H3.
What are the key properties of azane;1,5-diphenylpenta-1,4-dien-3-one?
azane;1,5-diphenylpenta-1,4-dien-3-one has a molecular weight of 251.33 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,5-diphenylpenta-1,4-dien-3-one is sourced from PubChem (CID 172776077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).