5-oxo-2,3-diphenyl-2H-furan-4-carbonitrile

C17H11NO2 — CID 569881

IUPAC5-oxo-2,3-diphenyl-2H-furan-4-carbonitrile
SMILESN#CC1=C(c2ccccc2)C(c2ccccc2)OC1=O
InChIInChI=1S/C17H11NO2/c18-11-14-15(12-7-3-1-4-8-12)16(20-17(14)19)13-9-5-2-6-10-13/h1-10,16H
InChIKeyUFEWTCZSYOHNEJ-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.26
Rot. Bonds2

About 5-oxo-2,3-diphenyl-2H-furan-4-carbonitrile

5-oxo-2,3-diphenyl-2H-furan-4-carbonitrile (PubChem CID 569881) has the molecular formula C17H11NO2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-oxo-2,3-diphenyl-2H-furan-4-carbonitrile.

Molecular Properties

Compound Name5-oxo-2,3-diphenyl-2H-furan-4-carbonitrile
PubChem CID569881
Molecular FormulaC17H11NO2
Molecular Weight261.28 g/mol
Exact Mass261.08
IUPAC Name5-oxo-2,3-diphenyl-2H-furan-4-carbonitrile
SMILESN#CC1=C(c2ccccc2)C(c2ccccc2)OC1=O
InChIInChI=1S/C17H11NO2/c18-11-14-15(12-7-3-1-4-8-12)16(20-17(14)19)13-9-5-2-6-10-13/h1-10,16H
InChIKeyUFEWTCZSYOHNEJ-UHFFFAOYSA-N
XLogP3.26
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzyl Cinnamate
CID 5273469
Octocrylene
CID 22571
Etocrylene
CID 243274
2-Propenoic acid, 3-phenyl-, phenylmethyl ester
CID 7652
Benzyl alcohol, cinnamate
CID 15558051
6-phenyl-5,6-dihydro-2H-pyran-2-one
CID 11105852
Diphenylmethyl acetate
CID 274281
2-(4-methylphenyl)-3-phenyl-2H-furan-5-one
CID 3745560
2-Phenylethyl 2-cyano-2-propenoate
CID 22266589
Benzyl 2-cyanoacetate
CID 560818
(+-)-trans-1,3-Diphenylallyl acetate
CID 6329567
(R)-alpha-Acetoxyphenylacetonitrile
CID 11041226

Frequently Asked Questions

What is the IUPAC name of 5-oxo-2,3-diphenyl-2H-furan-4-carbonitrile?
The IUPAC name of 5-oxo-2,3-diphenyl-2H-furan-4-carbonitrile (CID 569881) is 5-oxo-2,3-diphenyl-2H-furan-4-carbonitrile.
What is the SMILES notation for 5-oxo-2,3-diphenyl-2H-furan-4-carbonitrile?
The canonical SMILES for 5-oxo-2,3-diphenyl-2H-furan-4-carbonitrile is N#CC1=C(c2ccccc2)C(c2ccccc2)OC1=O.
What is the InChIKey of 5-oxo-2,3-diphenyl-2H-furan-4-carbonitrile?
The InChIKey is UFEWTCZSYOHNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2/c18-11-14-15(12-7-3-1-4-8-12)16(20-17(14)19)13-9-5-2-6-10-13/h1-10,16H.
What are the key properties of 5-oxo-2,3-diphenyl-2H-furan-4-carbonitrile?
5-oxo-2,3-diphenyl-2H-furan-4-carbonitrile has a molecular weight of 261.28 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2,3-diphenyl-2H-furan-4-carbonitrile is sourced from PubChem (CID 569881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).