2-oxo-4-phenyloxolane-3-carbonitrile

C11H9NO2 — CID 12932810

IUPAC2-oxo-4-phenyloxolane-3-carbonitrile
SMILESN#CC1C(=O)OCC1c1ccccc1
InChIInChI=1S/C11H9NO2/c12-6-9-10(7-14-11(9)13)8-4-2-1-3-5-8/h1-5,9-10H,7H2
InChIKeyKVGWZGSKCNTOHD-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.47
Rot. Bonds1

About 2-oxo-4-phenyloxolane-3-carbonitrile

2-oxo-4-phenyloxolane-3-carbonitrile (PubChem CID 12932810) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-oxo-4-phenyloxolane-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-4-phenyloxolane-3-carbonitrile
PubChem CID12932810
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name2-oxo-4-phenyloxolane-3-carbonitrile
SMILESN#CC1C(=O)OCC1c1ccccc1
InChIInChI=1S/C11H9NO2/c12-6-9-10(7-14-11(9)13)8-4-2-1-3-5-8/h1-5,9-10H,7H2
InChIKeyKVGWZGSKCNTOHD-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-oxo-4-phenyloxolane-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aR,6S,6aS)-6-phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 11252672
(3S,4S)-3-naphthalen-2-yl-4-phenyloxolan-2-one
CID 122222249
(3aS,7R,7aS)-7-phenyl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
CID 10560670
trans-(1R,2S)-2-phenylcyclopropane-1-carbonitrile
CID 6427548
2-(3-cyano-6-oxo-4-phenylpiperidin-2-ylidene)propanedinitrile
CID 14980709
(4S,7R)-6,6-dimethyl-1-oxo-4-phenyl-4,7,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7-carbonitrile
CID 134864071
trans-(4R,5R)-4,5-diphenylcycloheptan-1-one
CID 58293688
(3S,4R)-3,4-diphenyloxan-2-one
CID 102139812
4-phenyl-3-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one
CID 3062958
3-amino-7-phenyl-1,5-dioxonane-6,9-dione
CID 18681838
(4R,5R)-5-methyl-4-phenyloxan-2-one
CID 10607707
(3R,5R)-3-methyl-5-phenylmorpholin-2-one
CID 15042724

Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-phenyloxolane-3-carbonitrile?
The IUPAC name of 2-oxo-4-phenyloxolane-3-carbonitrile (CID 12932810) is 2-oxo-4-phenyloxolane-3-carbonitrile.
What is the SMILES notation for 2-oxo-4-phenyloxolane-3-carbonitrile?
The canonical SMILES for 2-oxo-4-phenyloxolane-3-carbonitrile is N#CC1C(=O)OCC1c1ccccc1.
What is the InChIKey of 2-oxo-4-phenyloxolane-3-carbonitrile?
The InChIKey is KVGWZGSKCNTOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c12-6-9-10(7-14-11(9)13)8-4-2-1-3-5-8/h1-5,9-10H,7H2.
What are the key properties of 2-oxo-4-phenyloxolane-3-carbonitrile?
2-oxo-4-phenyloxolane-3-carbonitrile has a molecular weight of 187.20 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-phenyloxolane-3-carbonitrile is sourced from PubChem (CID 12932810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).