2-cyclohex-3-en-1-yl-2-ethoxyacetonitrile

C10H15NO — CID 119089814

IUPAC2-cyclohex-3-en-1-yl-2-ethoxyacetonitrile
SMILESCCOC(C#N)C1CC=CCC1
InChIInChI=1S/C10H15NO/c1-2-12-10(8-11)9-6-4-3-5-7-9/h3-4,9-10H,2,5-7H2,1H3
InChIKeyVTRHENUWFJOUPT-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.27
Rot. Bonds3

About 2-cyclohex-3-en-1-yl-2-ethoxyacetonitrile

2-cyclohex-3-en-1-yl-2-ethoxyacetonitrile (PubChem CID 119089814) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-2-ethoxyacetonitrile.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-2-ethoxyacetonitrile
PubChem CID119089814
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-cyclohex-3-en-1-yl-2-ethoxyacetonitrile
SMILESCCOC(C#N)C1CC=CCC1
InChIInChI=1S/C10H15NO/c1-2-12-10(8-11)9-6-4-3-5-7-9/h3-4,9-10H,2,5-7H2,1H3
InChIKeyVTRHENUWFJOUPT-UHFFFAOYSA-N
XLogP2.27
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1r,2r,6s)-[(2s)-Oxiran-2-yl]-2-methylcyclohex-3-ene-1-carbonitrile
CID 129743513
(1r,2r,6s)-6-[(1r)-1-Hydroxyethyl]-2-methyl-cyclohex-3-ene-1-carbonitrile
CID 129744233
6-Oxiranylcyclohex-3-ene-1-carbonitrile
CID 129746954
(1r,2r,6s)-2-Methyl-6-[(2s)-oxiran-2-yl]cyclohex-3-ene-1-carbonitrile
CID 129759664
(2S)-2-cyclohex-3-en-1-yl-2-hydroxyacetonitrile
CID 130128522
(1S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carbonitrile
CID 134993275
(E)-6-(oxan-4-yl)hex-5-enenitrile
CID 146167064
4-Methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carbonitrile
CID 12221013
2-(3-Cyclohexen-1-yl)-2-hydroxyacetonitrile
CID 14293634
(2R)-2-cyclohex-3-en-1-yl-2-hydroxyacetonitrile
CID 14293635
2-Hydroxy-2-(6-methylcyclohex-3-en-1-yl)acetonitrile
CID 20471671
2-(2-Ethylcyclohex-3-en-1-yl)-2-hydroxyacetonitrile
CID 20471675

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yl-2-ethoxyacetonitrile?
The IUPAC name of 2-cyclohex-3-en-1-yl-2-ethoxyacetonitrile (CID 119089814) is 2-cyclohex-3-en-1-yl-2-ethoxyacetonitrile.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-2-ethoxyacetonitrile?
The canonical SMILES for 2-cyclohex-3-en-1-yl-2-ethoxyacetonitrile is CCOC(C#N)C1CC=CCC1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-2-ethoxyacetonitrile?
The InChIKey is VTRHENUWFJOUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-12-10(8-11)9-6-4-3-5-7-9/h3-4,9-10H,2,5-7H2,1H3.
What are the key properties of 2-cyclohex-3-en-1-yl-2-ethoxyacetonitrile?
2-cyclohex-3-en-1-yl-2-ethoxyacetonitrile has a molecular weight of 165.24 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-2-ethoxyacetonitrile is sourced from PubChem (CID 119089814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).