2-oxo-6-phenylpyran-3-carbonitrile

C12H7NO2 — CID 13101434

IUPAC2-oxo-6-phenylpyran-3-carbonitrile
SMILESN#Cc1ccc(-c2ccccc2)oc1=O
InChIInChI=1S/C12H7NO2/c13-8-10-6-7-11(15-12(10)14)9-4-2-1-3-5-9/h1-7H
InChIKeyVVQCLTWUIHSWCV-UHFFFAOYSA-N
MW197.19 g/mol
LogP2.18
Rot. Bonds1

About 2-oxo-6-phenylpyran-3-carbonitrile

2-oxo-6-phenylpyran-3-carbonitrile (PubChem CID 13101434) has the molecular formula C12H7NO2 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-oxo-6-phenylpyran-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-6-phenylpyran-3-carbonitrile
PubChem CID13101434
Molecular FormulaC12H7NO2
Molecular Weight197.19 g/mol
Exact Mass197.05
IUPAC Name2-oxo-6-phenylpyran-3-carbonitrile
SMILESN#Cc1ccc(-c2ccccc2)oc1=O
InChIInChI=1S/C12H7NO2/c13-8-10-6-7-11(15-12(10)14)9-4-2-1-3-5-9/h1-7H
InChIKeyVVQCLTWUIHSWCV-UHFFFAOYSA-N
XLogP2.18
TPSA54.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-diphenylbenzene-1,4-dicarbonitrile
CID 174765818
(3-cyano-2-oxo-6-phenylpyran-4-yl) thiocyanate;ethane
CID 142264635
2-[3,5-bis(5-phenylfuran-2-yl)phenyl]-5-phenylfuran
CID 20758324
5-phenyl-2-pyrrol-1-ylfuran-3-carbonitrile
CID 730898
7-oxocyclohepta-1,3,5-triene-1-carbonitrile
CID 582961
N-(3-cyano-5-phenylfuran-2-yl)benzamide
CID 730897
benzene-1,2-dicarbonitrile;dihydrochloride
CID 66675666
3-(4-methoxyphenyl)-6-phenylpyran-2-one
CID 15308954
(Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 787027
2-(4-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile
CID 3704591
(Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 726345
4-(2,3,4,5,6-pentakis-phenylphenyl)benzene-1,2-dicarbonitrile
CID 86200455

Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-phenylpyran-3-carbonitrile?
The IUPAC name of 2-oxo-6-phenylpyran-3-carbonitrile (CID 13101434) is 2-oxo-6-phenylpyran-3-carbonitrile.
What is the SMILES notation for 2-oxo-6-phenylpyran-3-carbonitrile?
The canonical SMILES for 2-oxo-6-phenylpyran-3-carbonitrile is N#Cc1ccc(-c2ccccc2)oc1=O.
What is the InChIKey of 2-oxo-6-phenylpyran-3-carbonitrile?
The InChIKey is VVQCLTWUIHSWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO2/c13-8-10-6-7-11(15-12(10)14)9-4-2-1-3-5-9/h1-7H.
What are the key properties of 2-oxo-6-phenylpyran-3-carbonitrile?
2-oxo-6-phenylpyran-3-carbonitrile has a molecular weight of 197.19 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-phenylpyran-3-carbonitrile is sourced from PubChem (CID 13101434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).