Cyclohexene-1-carbonitrile;1-hydroxycyclohexane-1-carbonitrile

C₁₄H₂₀N₂O — CID 165051974

About Cyclohexene-1-carbonitrile;1-hydroxycyclohexane-1-carbonitrile

Cyclohexene-1-carbonitrile;1-hydroxycyclohexane-1-carbonitrile (PubChem CID 165051974) has the molecular formula C₁₄H₂₀N₂O and a molecular weight of 232.33 g/mol. Its IUPAC name is cyclohexene-1-carbonitrile;1-hydroxycyclohexane-1-carbonitrile.

Molecular Properties

• Compound Name: Cyclohexene-1-carbonitrile;1-hydroxycyclohexane-1-carbonitrile
• PubChem CID: 165051974
• Molecular Formula: C₁₄H₂₀N₂O
• Molecular Weight: 232.33 g/mol
• Exact Mass: 232.16
• IUPAC Name: cyclohexene-1-carbonitrile;1-hydroxycyclohexane-1-carbonitrile
• SMILES: N#CC1(O)CCCCC1.N#CC1=CCCCC1
• InChI: InChI=1S/C7H11NO.C7H9N/c8-6-7(9)4-2-1-3-5-7;8-6-7-4-2-1-3-5-7/h9H,1-5H2;4H,1-3,5H2
• InChIKey: PUMWAPRQQFKVJP-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 67.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	232.33
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Cyclohexene-1-carbonitrile;1-hydroxycyclohexane-1-carbonitrile?

The IUPAC name of Cyclohexene-1-carbonitrile;1-hydroxycyclohexane-1-carbonitrile (CID 165051974) is cyclohexene-1-carbonitrile;1-hydroxycyclohexane-1-carbonitrile.

What is the SMILES notation for Cyclohexene-1-carbonitrile;1-hydroxycyclohexane-1-carbonitrile?

The canonical SMILES for Cyclohexene-1-carbonitrile;1-hydroxycyclohexane-1-carbonitrile is N#CC1(O)CCCCC1.N#CC1=CCCCC1.

What is the InChIKey of Cyclohexene-1-carbonitrile;1-hydroxycyclohexane-1-carbonitrile?

The InChIKey is PUMWAPRQQFKVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.C7H9N/c8-6-7(9)4-2-1-3-5-7;8-6-7-4-2-1-3-5-7/h9H,1-5H2;4H,1-3,5H2.

What are the key properties of Cyclohexene-1-carbonitrile;1-hydroxycyclohexane-1-carbonitrile?

Cyclohexene-1-carbonitrile;1-hydroxycyclohexane-1-carbonitrile has a molecular weight of 232.33 g/mol, XLogP of 3.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Cyclohexene-1-carbonitrile;1-hydroxycyclohexane-1-carbonitrile is sourced from PubChem (CID 165051974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 165051974 — identifiers, structure, computed properties (public domain)

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