3-(2-hydroxyimino-3-methylcyclopentyl)propanenitrile

C9H14N2O — CID 88510483

IUPAC3-(2-hydroxyimino-3-methylcyclopentyl)propanenitrile
SMILESCC1CCC(CCC#N)C1=NO
InChIInChI=1S/C9H14N2O/c1-7-4-5-8(3-2-6-10)9(7)11-12/h7-8,12H,2-5H2,1H3
InChIKeyWTTUVHYSXYQYIY-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.17
Rot. Bonds2

About 3-(2-hydroxyimino-3-methylcyclopentyl)propanenitrile

3-(2-hydroxyimino-3-methylcyclopentyl)propanenitrile (PubChem CID 88510483) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-(2-hydroxyimino-3-methylcyclopentyl)propanenitrile.

Molecular Properties

Compound Name3-(2-hydroxyimino-3-methylcyclopentyl)propanenitrile
PubChem CID88510483
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-(2-hydroxyimino-3-methylcyclopentyl)propanenitrile
SMILESCC1CCC(CCC#N)C1=NO
InChIInChI=1S/C9H14N2O/c1-7-4-5-8(3-2-6-10)9(7)11-12/h7-8,12H,2-5H2,1H3
InChIKeyWTTUVHYSXYQYIY-UHFFFAOYSA-N
XLogP2.17
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.17
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-hydroxyimino-3-methylcyclopentyl)propanenitrile?
The IUPAC name of 3-(2-hydroxyimino-3-methylcyclopentyl)propanenitrile (CID 88510483) is 3-(2-hydroxyimino-3-methylcyclopentyl)propanenitrile.
What is the SMILES notation for 3-(2-hydroxyimino-3-methylcyclopentyl)propanenitrile?
The canonical SMILES for 3-(2-hydroxyimino-3-methylcyclopentyl)propanenitrile is CC1CCC(CCC#N)C1=NO.
What is the InChIKey of 3-(2-hydroxyimino-3-methylcyclopentyl)propanenitrile?
The InChIKey is WTTUVHYSXYQYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-4-5-8(3-2-6-10)9(7)11-12/h7-8,12H,2-5H2,1H3.
What are the key properties of 3-(2-hydroxyimino-3-methylcyclopentyl)propanenitrile?
3-(2-hydroxyimino-3-methylcyclopentyl)propanenitrile has a molecular weight of 166.22 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyimino-3-methylcyclopentyl)propanenitrile is sourced from PubChem (CID 88510483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).