2-hydroxy-3-oxo-2,3-diphenylpropanenitrile

C15H11NO2 — CID 87277841

IUPAC2-hydroxy-3-oxo-2,3-diphenylpropanenitrile
SMILESN#CC(O)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H11NO2/c16-11-15(18,13-9-5-2-6-10-13)14(17)12-7-3-1-4-8-12/h1-10,18H
InChIKeySGYBJXCFPIYQTL-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.28
Rot. Bonds3

About 2-hydroxy-3-oxo-2,3-diphenylpropanenitrile

2-hydroxy-3-oxo-2,3-diphenylpropanenitrile (PubChem CID 87277841) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-hydroxy-3-oxo-2,3-diphenylpropanenitrile.

Molecular Properties

Compound Name2-hydroxy-3-oxo-2,3-diphenylpropanenitrile
PubChem CID87277841
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name2-hydroxy-3-oxo-2,3-diphenylpropanenitrile
SMILESN#CC(O)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H11NO2/c16-11-15(18,13-9-5-2-6-10-13)14(17)12-7-3-1-4-8-12/h1-10,18H
InChIKeySGYBJXCFPIYQTL-UHFFFAOYSA-N
XLogP2.28
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-2,3-dibenzoyl-2,3-dihydroxybutanedioic acid;hydrate
CID 130366077
2-chloro-1,2,2-triphenylethanone
CID 11301235
2-dimethylphosphinothioyl-2-hydroxy-1,2-diphenylethanone
CID 15146257
2-hydroxy-3-oxo-2,3-diphenylpropanal
CID 87459670
benzoic acid;trihydrate
CID 157398339
3-oxo-2,2,3-triphenyl-N-trimethylsilylpropanenitrilium
CID 134873528
2-hydroxy-2-phenyl-2-sulfanylacetonitrile
CID 54416139
acetonitrile;benzoic acid;ethane
CID 143448416
2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
CID 70599278
N-(1-acetamido-2-oxo-1,2-diphenylethyl)acetamide
CID 134105964
2-hydroxy-1,2-diphenyl-2-pyridin-4-ylethanone
CID 67444545
2,2,4,4,4-pentafluoro-3-hydroxy-1,3-diphenylbutan-1-one
CID 10520428

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-oxo-2,3-diphenylpropanenitrile?
The IUPAC name of 2-hydroxy-3-oxo-2,3-diphenylpropanenitrile (CID 87277841) is 2-hydroxy-3-oxo-2,3-diphenylpropanenitrile.
What is the SMILES notation for 2-hydroxy-3-oxo-2,3-diphenylpropanenitrile?
The canonical SMILES for 2-hydroxy-3-oxo-2,3-diphenylpropanenitrile is N#CC(O)(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroxy-3-oxo-2,3-diphenylpropanenitrile?
The InChIKey is SGYBJXCFPIYQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c16-11-15(18,13-9-5-2-6-10-13)14(17)12-7-3-1-4-8-12/h1-10,18H.
What are the key properties of 2-hydroxy-3-oxo-2,3-diphenylpropanenitrile?
2-hydroxy-3-oxo-2,3-diphenylpropanenitrile has a molecular weight of 237.26 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-oxo-2,3-diphenylpropanenitrile is sourced from PubChem (CID 87277841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).