3-(2-hydroxyiminocyclopentyl)propanenitrile

C8H12N2O — CID 86163413

IUPAC3-(2-hydroxyiminocyclopentyl)propanenitrile
SMILESN#CCCC1CCCC1=NO
InChIInChI=1S/C8H12N2O/c9-6-2-4-7-3-1-5-8(7)10-11/h7,11H,1-5H2
InChIKeyYRZYQJLOZCSOSA-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.92
Rot. Bonds2

About 3-(2-hydroxyiminocyclopentyl)propanenitrile

3-(2-hydroxyiminocyclopentyl)propanenitrile (PubChem CID 86163413) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-(2-hydroxyiminocyclopentyl)propanenitrile.

Molecular Properties

Compound Name3-(2-hydroxyiminocyclopentyl)propanenitrile
PubChem CID86163413
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-(2-hydroxyiminocyclopentyl)propanenitrile
SMILESN#CCCC1CCCC1=NO
InChIInChI=1S/C8H12N2O/c9-6-2-4-7-3-1-5-8(7)10-11/h7,11H,1-5H2
InChIKeyYRZYQJLOZCSOSA-UHFFFAOYSA-N
XLogP1.92
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.92
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyiminocyclopentyl)propanenitrile?
The IUPAC name of 3-(2-hydroxyiminocyclopentyl)propanenitrile (CID 86163413) is 3-(2-hydroxyiminocyclopentyl)propanenitrile.
What is the SMILES notation for 3-(2-hydroxyiminocyclopentyl)propanenitrile?
The canonical SMILES for 3-(2-hydroxyiminocyclopentyl)propanenitrile is N#CCCC1CCCC1=NO.
What is the InChIKey of 3-(2-hydroxyiminocyclopentyl)propanenitrile?
The InChIKey is YRZYQJLOZCSOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c9-6-2-4-7-3-1-5-8(7)10-11/h7,11H,1-5H2.
What are the key properties of 3-(2-hydroxyiminocyclopentyl)propanenitrile?
3-(2-hydroxyiminocyclopentyl)propanenitrile has a molecular weight of 152.20 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyiminocyclopentyl)propanenitrile is sourced from PubChem (CID 86163413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).