4-(2-methoxyethenyl)cyclohexane-1-carbonitrile

C10H15NO — CID 70406257

IUPAC4-(2-methoxyethenyl)cyclohexane-1-carbonitrile
SMILESCOC=CC1CCC(C#N)CC1
InChIInChI=1S/C10H15NO/c1-12-7-6-9-2-4-10(8-11)5-3-9/h6-7,9-10H,2-5H2,1H3
InChIKeyGCOPKFKXQJYIRC-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.48
Rot. Bonds2

About 4-(2-methoxyethenyl)cyclohexane-1-carbonitrile

4-(2-methoxyethenyl)cyclohexane-1-carbonitrile (PubChem CID 70406257) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-(2-methoxyethenyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-(2-methoxyethenyl)cyclohexane-1-carbonitrile
PubChem CID70406257
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-(2-methoxyethenyl)cyclohexane-1-carbonitrile
SMILESCOC=CC1CCC(C#N)CC1
InChIInChI=1S/C10H15NO/c1-12-7-6-9-2-4-10(8-11)5-3-9/h6-7,9-10H,2-5H2,1H3
InChIKeyGCOPKFKXQJYIRC-UHFFFAOYSA-N
XLogP2.48
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethenyl)cyclohexane-1-carbonitrile?
The IUPAC name of 4-(2-methoxyethenyl)cyclohexane-1-carbonitrile (CID 70406257) is 4-(2-methoxyethenyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-(2-methoxyethenyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-(2-methoxyethenyl)cyclohexane-1-carbonitrile is COC=CC1CCC(C#N)CC1.
What is the InChIKey of 4-(2-methoxyethenyl)cyclohexane-1-carbonitrile?
The InChIKey is GCOPKFKXQJYIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-12-7-6-9-2-4-10(8-11)5-3-9/h6-7,9-10H,2-5H2,1H3.
What are the key properties of 4-(2-methoxyethenyl)cyclohexane-1-carbonitrile?
4-(2-methoxyethenyl)cyclohexane-1-carbonitrile has a molecular weight of 165.24 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethenyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 70406257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).