3-(3-oxopentan-2-ylimino)cyclohexan-1-one

C11H17NO2 — CID 90059425

IUPAC3-(3-oxopentan-2-ylimino)cyclohexan-1-one
SMILESCCC(=O)C(C)/N=C1\CCCC(=O)C1
InChIInChI=1S/C11H17NO2/c1-3-11(14)8(2)12-9-5-4-6-10(13)7-9/h8H,3-7H2,1-2H3/b12-9+
InChIKeyDDYPZNQBMHILFC-FMIVXFBMSA-N
MW195.26 g/mol
LogP1.94
Rot. Bonds3

About 3-(3-oxopentan-2-ylimino)cyclohexan-1-one

3-(3-oxopentan-2-ylimino)cyclohexan-1-one (PubChem CID 90059425) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-(3-oxopentan-2-ylimino)cyclohexan-1-one.

Molecular Properties

Compound Name3-(3-oxopentan-2-ylimino)cyclohexan-1-one
PubChem CID90059425
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-(3-oxopentan-2-ylimino)cyclohexan-1-one
SMILESCCC(=O)C(C)/N=C1\CCCC(=O)C1
InChIInChI=1S/C11H17NO2/c1-3-11(14)8(2)12-9-5-4-6-10(13)7-9/h8H,3-7H2,1-2H3/b12-9+
InChIKeyDDYPZNQBMHILFC-FMIVXFBMSA-N
XLogP1.94
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-oxopentan-2-ylimino)cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxopentan-2-ylimino)cyclohexan-1-one?
The IUPAC name of 3-(3-oxopentan-2-ylimino)cyclohexan-1-one (CID 90059425) is 3-(3-oxopentan-2-ylimino)cyclohexan-1-one.
What is the SMILES notation for 3-(3-oxopentan-2-ylimino)cyclohexan-1-one?
The canonical SMILES for 3-(3-oxopentan-2-ylimino)cyclohexan-1-one is CCC(=O)C(C)/N=C1\CCCC(=O)C1.
What is the InChIKey of 3-(3-oxopentan-2-ylimino)cyclohexan-1-one?
The InChIKey is DDYPZNQBMHILFC-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-11(14)8(2)12-9-5-4-6-10(13)7-9/h8H,3-7H2,1-2H3/b12-9+.
What are the key properties of 3-(3-oxopentan-2-ylimino)cyclohexan-1-one?
3-(3-oxopentan-2-ylimino)cyclohexan-1-one has a molecular weight of 195.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxopentan-2-ylimino)cyclohexan-1-one is sourced from PubChem (CID 90059425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).