3-(2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl)benzonitrile

C17H18N2O — CID 73020853

IUPAC3-(2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl)benzonitrile
SMILESN#Cc1cccc(C2=C(C3CCCC3)CCC2=NO)c1
InChIInChI=1S/C17H18N2O/c18-11-12-4-3-7-14(10-12)17-15(8-9-16(17)19-20)13-5-1-2-6-13/h3-4,7,10,13,20H,1-2,5-6,8-9H2
InChIKeyXVVONSSCZGENAE-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.13
Rot. Bonds2

About 3-(2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl)benzonitrile

3-(2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl)benzonitrile (PubChem CID 73020853) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl)benzonitrile.

Molecular Properties

Compound Name3-(2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl)benzonitrile
PubChem CID73020853
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-(2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl)benzonitrile
SMILESN#Cc1cccc(C2=C(C3CCCC3)CCC2=NO)c1
InChIInChI=1S/C17H18N2O/c18-11-12-4-3-7-14(10-12)17-15(8-9-16(17)19-20)13-5-1-2-6-13/h3-4,7,10,13,20H,1-2,5-6,8-9H2
InChIKeyXVVONSSCZGENAE-UHFFFAOYSA-N
XLogP4.13
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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3-[3-(3-cyanophenyl)-2-cyclohexyl-4,6-di(phenothiazin-10-yl)phenyl]benzonitrile
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3-(oxan-3-yl)benzonitrile
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CID 11243141

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl)benzonitrile?
The IUPAC name of 3-(2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl)benzonitrile (CID 73020853) is 3-(2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl)benzonitrile.
What is the SMILES notation for 3-(2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl)benzonitrile?
The canonical SMILES for 3-(2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl)benzonitrile is N#Cc1cccc(C2=C(C3CCCC3)CCC2=NO)c1.
What is the InChIKey of 3-(2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl)benzonitrile?
The InChIKey is XVVONSSCZGENAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c18-11-12-4-3-7-14(10-12)17-15(8-9-16(17)19-20)13-5-1-2-6-13/h3-4,7,10,13,20H,1-2,5-6,8-9H2.
What are the key properties of 3-(2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl)benzonitrile?
3-(2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl)benzonitrile has a molecular weight of 266.34 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl)benzonitrile is sourced from PubChem (CID 73020853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).