(2Z)-2-cyclopentyl-2-hydroxyiminoacetonitrile

C7H10N2O — CID 20811086

IUPAC(2Z)-2-cyclopentyl-2-hydroxyiminoacetonitrile
SMILESN#C/C(=N\O)C1CCCC1
InChIInChI=1S/C7H10N2O/c8-5-7(9-10)6-3-1-2-4-6/h6,10H,1-4H2/b9-7+
InChIKeyJEVOQVUTZMRLJY-VQHVLOKHSA-N
MW138.17 g/mol
LogP1.53
Rot. Bonds1

About (2Z)-2-cyclopentyl-2-hydroxyiminoacetonitrile

(2Z)-2-cyclopentyl-2-hydroxyiminoacetonitrile (PubChem CID 20811086) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (2Z)-2-cyclopentyl-2-hydroxyiminoacetonitrile.

Molecular Properties

Compound Name(2Z)-2-cyclopentyl-2-hydroxyiminoacetonitrile
PubChem CID20811086
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(2Z)-2-cyclopentyl-2-hydroxyiminoacetonitrile
SMILESN#C/C(=N\O)C1CCCC1
InChIInChI=1S/C7H10N2O/c8-5-7(9-10)6-3-1-2-4-6/h6,10H,1-4H2/b9-7+
InChIKeyJEVOQVUTZMRLJY-VQHVLOKHSA-N
XLogP1.53
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.53
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 (2Z)-2-cyclopentyl-2-hydroxyiminoacetonitrile?
The IUPAC name of (2Z)-2-cyclopentyl-2-hydroxyiminoacetonitrile (CID 20811086) is (2Z)-2-cyclopentyl-2-hydroxyiminoacetonitrile.
What is the SMILES notation for (2Z)-2-cyclopentyl-2-hydroxyiminoacetonitrile?
The canonical SMILES for (2Z)-2-cyclopentyl-2-hydroxyiminoacetonitrile is N#C/C(=N\O)C1CCCC1.
What is the InChIKey of (2Z)-2-cyclopentyl-2-hydroxyiminoacetonitrile?
The InChIKey is JEVOQVUTZMRLJY-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H10N2O/c8-5-7(9-10)6-3-1-2-4-6/h6,10H,1-4H2/b9-7+.
What are the key properties of (2Z)-2-cyclopentyl-2-hydroxyiminoacetonitrile?
(2Z)-2-cyclopentyl-2-hydroxyiminoacetonitrile has a molecular weight of 138.17 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyclopentyl-2-hydroxyiminoacetonitrile is sourced from PubChem (CID 20811086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).