3-[(1R)-3-oxocyclopentyl]benzonitrile

C12H11NO — CID 162342996

IUPAC3-[(1R)-3-oxocyclopentyl]benzonitrile
SMILESN#Cc1cccc([C@@H]2CCC(=O)C2)c1
InChIInChI=1S/C12H11NO/c13-8-9-2-1-3-10(6-9)11-4-5-12(14)7-11/h1-3,6,11H,4-5,7H2/t11-/m1/s1
InChIKeyARAKEBBOBLIYGK-LLVKDONJSA-N
MW185.23 g/mol
LogP2.39
Rot. Bonds1

About 3-[(1R)-3-oxocyclopentyl]benzonitrile

3-[(1R)-3-oxocyclopentyl]benzonitrile (PubChem CID 162342996) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-[(1R)-3-oxocyclopentyl]benzonitrile.

Molecular Properties

Compound Name3-[(1R)-3-oxocyclopentyl]benzonitrile
PubChem CID162342996
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name3-[(1R)-3-oxocyclopentyl]benzonitrile
SMILESN#Cc1cccc([C@@H]2CCC(=O)C2)c1
InChIInChI=1S/C12H11NO/c13-8-9-2-1-3-10(6-9)11-4-5-12(14)7-11/h1-3,6,11H,4-5,7H2/t11-/m1/s1
InChIKeyARAKEBBOBLIYGK-LLVKDONJSA-N
XLogP2.39
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-3-oxocyclopentyl]benzonitrile?
The IUPAC name of 3-[(1R)-3-oxocyclopentyl]benzonitrile (CID 162342996) is 3-[(1R)-3-oxocyclopentyl]benzonitrile.
What is the SMILES notation for 3-[(1R)-3-oxocyclopentyl]benzonitrile?
The canonical SMILES for 3-[(1R)-3-oxocyclopentyl]benzonitrile is N#Cc1cccc([C@@H]2CCC(=O)C2)c1.
What is the InChIKey of 3-[(1R)-3-oxocyclopentyl]benzonitrile?
The InChIKey is ARAKEBBOBLIYGK-LLVKDONJSA-N. The full InChI is InChI=1S/C12H11NO/c13-8-9-2-1-3-10(6-9)11-4-5-12(14)7-11/h1-3,6,11H,4-5,7H2/t11-/m1/s1.
What are the key properties of 3-[(1R)-3-oxocyclopentyl]benzonitrile?
3-[(1R)-3-oxocyclopentyl]benzonitrile has a molecular weight of 185.23 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-3-oxocyclopentyl]benzonitrile is sourced from PubChem (CID 162342996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).