2-cyclohexyliminocyclohexan-1-one

C12H19NO — CID 154158221

IUPAC2-cyclohexyliminocyclohexan-1-one
SMILESO=C1CCCC/C1=N\C1CCCCC1
InChIInChI=1S/C12H19NO/c14-12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h10H,1-9H2/b13-11+
InChIKeyFCFYUSQQFPHIKV-ACCUITESSA-N
MW193.29 g/mol
LogP2.90
Rot. Bonds1

About 2-cyclohexyliminocyclohexan-1-one

2-cyclohexyliminocyclohexan-1-one (PubChem CID 154158221) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-cyclohexyliminocyclohexan-1-one.

Molecular Properties

Compound Name2-cyclohexyliminocyclohexan-1-one
PubChem CID154158221
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-cyclohexyliminocyclohexan-1-one
SMILESO=C1CCCC/C1=N\C1CCCCC1
InChIInChI=1S/C12H19NO/c14-12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h10H,1-9H2/b13-11+
InChIKeyFCFYUSQQFPHIKV-ACCUITESSA-N
XLogP2.90
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyliminocyclohexan-1-one?
The IUPAC name of 2-cyclohexyliminocyclohexan-1-one (CID 154158221) is 2-cyclohexyliminocyclohexan-1-one.
What is the SMILES notation for 2-cyclohexyliminocyclohexan-1-one?
The canonical SMILES for 2-cyclohexyliminocyclohexan-1-one is O=C1CCCC/C1=N\C1CCCCC1.
What is the InChIKey of 2-cyclohexyliminocyclohexan-1-one?
The InChIKey is FCFYUSQQFPHIKV-ACCUITESSA-N. The full InChI is InChI=1S/C12H19NO/c14-12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h10H,1-9H2/b13-11+.
What are the key properties of 2-cyclohexyliminocyclohexan-1-one?
2-cyclohexyliminocyclohexan-1-one has a molecular weight of 193.29 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyliminocyclohexan-1-one is sourced from PubChem (CID 154158221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).