4-cyclohexyliminopentan-2-one

C11H19NO — CID 20512965

IUPAC4-cyclohexyliminopentan-2-one
SMILESCC(=O)C/C(C)=N/C1CCCCC1
InChIInChI=1S/C11H19NO/c1-9(8-10(2)13)12-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3/b12-9+
InChIKeyRMVCLAGISYIPJU-FMIVXFBMSA-N
MW181.28 g/mol
LogP2.76
Rot. Bonds3

About 4-cyclohexyliminopentan-2-one

4-cyclohexyliminopentan-2-one (PubChem CID 20512965) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-cyclohexyliminopentan-2-one.

Molecular Properties

Compound Name4-cyclohexyliminopentan-2-one
PubChem CID20512965
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-cyclohexyliminopentan-2-one
SMILESCC(=O)C/C(C)=N/C1CCCCC1
InChIInChI=1S/C11H19NO/c1-9(8-10(2)13)12-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3/b12-9+
InChIKeyRMVCLAGISYIPJU-FMIVXFBMSA-N
XLogP2.76
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyliminopentan-2-one?
The IUPAC name of 4-cyclohexyliminopentan-2-one (CID 20512965) is 4-cyclohexyliminopentan-2-one.
What is the SMILES notation for 4-cyclohexyliminopentan-2-one?
The canonical SMILES for 4-cyclohexyliminopentan-2-one is CC(=O)C/C(C)=N/C1CCCCC1.
What is the InChIKey of 4-cyclohexyliminopentan-2-one?
The InChIKey is RMVCLAGISYIPJU-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(8-10(2)13)12-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3/b12-9+.
What are the key properties of 4-cyclohexyliminopentan-2-one?
4-cyclohexyliminopentan-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyliminopentan-2-one is sourced from PubChem (CID 20512965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).