3-oxo-2,3-diphenylpropanenitrile

C15H11NO — CID 21522

IUPAC3-oxo-2,3-diphenylpropanenitrile
SMILESN#CC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H11NO/c16-11-14(12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h1-10,14H
InChIKeyJATZBKSNYZHCOC-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.18
Rot. Bonds3

About 3-oxo-2,3-diphenylpropanenitrile

3-oxo-2,3-diphenylpropanenitrile (PubChem CID 21522) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-oxo-2,3-diphenylpropanenitrile.

Molecular Properties

Compound Name3-oxo-2,3-diphenylpropanenitrile
PubChem CID21522
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name3-oxo-2,3-diphenylpropanenitrile
SMILESN#CC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H11NO/c16-11-14(12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h1-10,14H
InChIKeyJATZBKSNYZHCOC-UHFFFAOYSA-N
XLogP3.18
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzophenone
CID 3102
Chalcone
CID 637760
Dibenzoylmethane
CID 8433
Benzil
CID 8651
Cyclohexyl phenyl ketone
CID 12837
4,4'-Difluorobenzophenone
CID 9582
4-Isopropylacetophenone
CID 12578
Isobutyrophenone
CID 69144
2-Phenylacetophenone
CID 9948
5H-Dibenzo[a,d]cyclohepten-5-one
CID 16679
4-Acetylbiphenyl
CID 7113
4-Methylbenzophenone
CID 8652

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2,3-diphenylpropanenitrile?
The IUPAC name of 3-oxo-2,3-diphenylpropanenitrile (CID 21522) is 3-oxo-2,3-diphenylpropanenitrile.
What is the SMILES notation for 3-oxo-2,3-diphenylpropanenitrile?
The canonical SMILES for 3-oxo-2,3-diphenylpropanenitrile is N#CC(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-oxo-2,3-diphenylpropanenitrile?
The InChIKey is JATZBKSNYZHCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c16-11-14(12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h1-10,14H.
What are the key properties of 3-oxo-2,3-diphenylpropanenitrile?
3-oxo-2,3-diphenylpropanenitrile has a molecular weight of 221.26 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2,3-diphenylpropanenitrile is sourced from PubChem (CID 21522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).