4-[(1R,5R)-4-oxo-6-phenyl-1-bicyclo[3.1.0]hexanyl]benzonitrile

C19H15NO — CID 101069205

IUPAC4-[(1R,5R)-4-oxo-6-phenyl-1-bicyclo[3.1.0]hexanyl]benzonitrile
SMILESN#Cc1ccc([C@@]23CCC(=O)[C@@H]2C3c2ccccc2)cc1
InChIInChI=1S/C19H15NO/c20-12-13-6-8-15(9-7-13)19-11-10-16(21)18(19)17(19)14-4-2-1-3-5-14/h1-9,17-18H,10-11H2/t17?,18-,19-/m1/s1
InChIKeyUBBLVOWMPOLSEI-OMKBGSMGSA-N
MW273.34 g/mol
LogP3.57
Rot. Bonds2

About 4-[(1R,5R)-4-oxo-6-phenyl-1-bicyclo[3.1.0]hexanyl]benzonitrile

4-[(1R,5R)-4-oxo-6-phenyl-1-bicyclo[3.1.0]hexanyl]benzonitrile (PubChem CID 101069205) has the molecular formula C19H15NO and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[(1R,5R)-4-oxo-6-phenyl-1-bicyclo[3.1.0]hexanyl]benzonitrile.

Molecular Properties

Compound Name4-[(1R,5R)-4-oxo-6-phenyl-1-bicyclo[3.1.0]hexanyl]benzonitrile
PubChem CID101069205
Molecular FormulaC19H15NO
Molecular Weight273.34 g/mol
Exact Mass273.12
IUPAC Name4-[(1R,5R)-4-oxo-6-phenyl-1-bicyclo[3.1.0]hexanyl]benzonitrile
SMILESN#Cc1ccc([C@@]23CCC(=O)[C@@H]2C3c2ccccc2)cc1
InChIInChI=1S/C19H15NO/c20-12-13-6-8-15(9-7-13)19-11-10-16(21)18(19)17(19)14-4-2-1-3-5-14/h1-9,17-18H,10-11H2/t17?,18-,19-/m1/s1
InChIKeyUBBLVOWMPOLSEI-OMKBGSMGSA-N
XLogP3.57
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S,5S,6S)-4-oxo-1-phenyl-6-bicyclo[3.1.0]hexanyl]benzonitrile
CID 101001916
(1R,3S,5R,6R)-4-oxo-1,3,6-triphenylbicyclo[3.1.0]hexane-3-carbonitrile
CID 11824276
4-(1-bromo-4-oxo-2-phenyl-1,3-dihydronaphthalen-2-yl)benzonitrile
CID 23583920
(14N)benzonitrile
CID 102268532
(5S,6S)-5-naphthalen-1-yl-6-naphthalen-2-ylbicyclo[3.1.0]hexan-2-one
CID 102369671
benzonitrile;sulfamide
CID 159924446
4-[4-[(1S)-2-acetyl-3-oxocyclopentyl]phenyl]benzonitrile
CID 59787802
6-(4-cyanophenyl)-2-hydroxy-5-phenyl-7-oxa-10-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-12-carbonitrile
CID 145319177
4-[1-methyl-3-(C-methyl-N-phenylcarbonimidoyl)-2-oxocyclopentyl]benzonitrile
CID 91217785
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)benzonitrile
CID 56695839
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,5R)-4-oxo-6-phenyl-1-bicyclo[3.1.0]hexanyl]benzonitrile?
The IUPAC name of 4-[(1R,5R)-4-oxo-6-phenyl-1-bicyclo[3.1.0]hexanyl]benzonitrile (CID 101069205) is 4-[(1R,5R)-4-oxo-6-phenyl-1-bicyclo[3.1.0]hexanyl]benzonitrile.
What is the SMILES notation for 4-[(1R,5R)-4-oxo-6-phenyl-1-bicyclo[3.1.0]hexanyl]benzonitrile?
The canonical SMILES for 4-[(1R,5R)-4-oxo-6-phenyl-1-bicyclo[3.1.0]hexanyl]benzonitrile is N#Cc1ccc([C@@]23CCC(=O)[C@@H]2C3c2ccccc2)cc1.
What is the InChIKey of 4-[(1R,5R)-4-oxo-6-phenyl-1-bicyclo[3.1.0]hexanyl]benzonitrile?
The InChIKey is UBBLVOWMPOLSEI-OMKBGSMGSA-N. The full InChI is InChI=1S/C19H15NO/c20-12-13-6-8-15(9-7-13)19-11-10-16(21)18(19)17(19)14-4-2-1-3-5-14/h1-9,17-18H,10-11H2/t17?,18-,19-/m1/s1.
What are the key properties of 4-[(1R,5R)-4-oxo-6-phenyl-1-bicyclo[3.1.0]hexanyl]benzonitrile?
4-[(1R,5R)-4-oxo-6-phenyl-1-bicyclo[3.1.0]hexanyl]benzonitrile has a molecular weight of 273.34 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,5R)-4-oxo-6-phenyl-1-bicyclo[3.1.0]hexanyl]benzonitrile is sourced from PubChem (CID 101069205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).