3-imino-2,3-diphenylprop-1-en-1-one

C15H11NO — CID 11447363

IUPAC3-imino-2,3-diphenylprop-1-en-1-one
SMILES[H]/N=C(/C(=C=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H11NO/c16-15(13-9-5-2-6-10-13)14(11-17)12-7-3-1-4-8-12/h1-10,16H/b16-15+
InChIKeyZHZCRFFJSYNLNN-FOCLMDBBSA-N
MW221.26 g/mol
LogP2.97
Rot. Bonds3

About 3-imino-2,3-diphenylprop-1-en-1-one

3-imino-2,3-diphenylprop-1-en-1-one (PubChem CID 11447363) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-imino-2,3-diphenylprop-1-en-1-one.

Molecular Properties

Compound Name3-imino-2,3-diphenylprop-1-en-1-one
PubChem CID11447363
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name3-imino-2,3-diphenylprop-1-en-1-one
SMILES[H]/N=C(/C(=C=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H11NO/c16-15(13-9-5-2-6-10-13)14(11-17)12-7-3-1-4-8-12/h1-10,16H/b16-15+
InChIKeyZHZCRFFJSYNLNN-FOCLMDBBSA-N
XLogP2.97
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

2-imino-2-phenylacetamide
CID 18431878
3-oxo-2-phenylprop-2-enoyl chloride
CID 10773734
2-(benzenecarboximidoyl)-3-hydroxy-3-phenylprop-2-enoic acid
CID 151168806
diphenylmethanone;isocyanic acid
CID 87839825
3-(benzenecarboximidoyl)-4-hydroxybut-3-en-2-one
CID 154405896
ethane;(Z)-4-imino-3-methyl-4-phenylbut-2-en-2-amine
CID 144506172
ethane;1-phenylethanimine
CID 91121262
bis(benzenecarboximidoyl) oxalate
CID 174616072
(E)-2-(benzenecarboximidoyl)-3-methoxyprop-2-enoic acid
CID 178137992
[(Z)-(2-imino-1,2-diphenylethylidene)amino] benzoate
CID 89150925
2-imino-2-phenyl-N-propylacetamide
CID 59888029
N-(2,5-dimethylpyrrol-1-yl)-2-imino-2-phenylacetamide
CID 176944127

Frequently Asked Questions

What is the IUPAC name of 3-imino-2,3-diphenylprop-1-en-1-one?
The IUPAC name of 3-imino-2,3-diphenylprop-1-en-1-one (CID 11447363) is 3-imino-2,3-diphenylprop-1-en-1-one.
What is the SMILES notation for 3-imino-2,3-diphenylprop-1-en-1-one?
The canonical SMILES for 3-imino-2,3-diphenylprop-1-en-1-one is [H]/N=C(/C(=C=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-imino-2,3-diphenylprop-1-en-1-one?
The InChIKey is ZHZCRFFJSYNLNN-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H11NO/c16-15(13-9-5-2-6-10-13)14(11-17)12-7-3-1-4-8-12/h1-10,16H/b16-15+.
What are the key properties of 3-imino-2,3-diphenylprop-1-en-1-one?
3-imino-2,3-diphenylprop-1-en-1-one has a molecular weight of 221.26 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-2,3-diphenylprop-1-en-1-one is sourced from PubChem (CID 11447363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).