2-oxo-5-phenyloxolane-3-carbonitrile

C11H9NO2 — CID 12932811

IUPAC2-oxo-5-phenyloxolane-3-carbonitrile
SMILESN#CC1CC(c2ccccc2)OC1=O
InChIInChI=1S/C11H9NO2/c12-7-9-6-10(14-11(9)13)8-4-2-1-3-5-8/h1-5,9-10H,6H2
InChIKeySXSMHFSQPXUURZ-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.81
Rot. Bonds1

About 2-oxo-5-phenyloxolane-3-carbonitrile

2-oxo-5-phenyloxolane-3-carbonitrile (PubChem CID 12932811) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-oxo-5-phenyloxolane-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-5-phenyloxolane-3-carbonitrile
PubChem CID12932811
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name2-oxo-5-phenyloxolane-3-carbonitrile
SMILESN#CC1CC(c2ccccc2)OC1=O
InChIInChI=1S/C11H9NO2/c12-7-9-6-10(14-11(9)13)8-4-2-1-3-5-8/h1-5,9-10H,6H2
InChIKeySXSMHFSQPXUURZ-UHFFFAOYSA-N
XLogP1.81
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

gamma-Phenyl-gamma-butyrolactone
CID 13884
2(3H)-Furanone, dihydro-3-methylene-5-phenyl-
CID 176437
2-Furoic acid, tetrahydro-5-oxo-2-phenyl-, methyl ester
CID 123302
4-Acetyl-5-phenyloxolan-2-one
CID 3040835
1-Cyanoethyl benzoate
CID 285242
Benzyl 2-cyanoacetate
CID 560818
(R)-alpha-Acetoxyphenylacetonitrile
CID 11041226
4-Butyl-3-methylidene-5-phenyloxolan-2-one
CID 15646352
5-Benzyl-3-methylideneoxolan-2-one
CID 316016
5-Methyl-5-phenyloxolan-2-one
CID 88864
Mandelonitrile benzoate
CID 92983
5-(4-Fluorophenyl)dihydro-3-methylene-2(3H)-furanone
CID 11106191

Frequently Asked Questions

What is the IUPAC name of 2-oxo-5-phenyloxolane-3-carbonitrile?
The IUPAC name of 2-oxo-5-phenyloxolane-3-carbonitrile (CID 12932811) is 2-oxo-5-phenyloxolane-3-carbonitrile.
What is the SMILES notation for 2-oxo-5-phenyloxolane-3-carbonitrile?
The canonical SMILES for 2-oxo-5-phenyloxolane-3-carbonitrile is N#CC1CC(c2ccccc2)OC1=O.
What is the InChIKey of 2-oxo-5-phenyloxolane-3-carbonitrile?
The InChIKey is SXSMHFSQPXUURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c12-7-9-6-10(14-11(9)13)8-4-2-1-3-5-8/h1-5,9-10H,6H2.
What are the key properties of 2-oxo-5-phenyloxolane-3-carbonitrile?
2-oxo-5-phenyloxolane-3-carbonitrile has a molecular weight of 187.20 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5-phenyloxolane-3-carbonitrile is sourced from PubChem (CID 12932811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).