3-propan-2-yliminocyclohexan-1-one

C9H15NO — CID 91012794

IUPAC3-propan-2-yliminocyclohexan-1-one
SMILESCC(C)/N=C1\CCCC(=O)C1
InChIInChI=1S/C9H15NO/c1-7(2)10-8-4-3-5-9(11)6-8/h7H,3-6H2,1-2H3/b10-8+
InChIKeyKOIJOAGTBPOZDF-CSKARUKUSA-N
MW153.22 g/mol
LogP1.98
Rot. Bonds1

About 3-propan-2-yliminocyclohexan-1-one

3-propan-2-yliminocyclohexan-1-one (PubChem CID 91012794) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-propan-2-yliminocyclohexan-1-one.

Molecular Properties

Compound Name3-propan-2-yliminocyclohexan-1-one
PubChem CID91012794
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-propan-2-yliminocyclohexan-1-one
SMILESCC(C)/N=C1\CCCC(=O)C1
InChIInChI=1S/C9H15NO/c1-7(2)10-8-4-3-5-9(11)6-8/h7H,3-6H2,1-2H3/b10-8+
InChIKeyKOIJOAGTBPOZDF-CSKARUKUSA-N
XLogP1.98
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-propan-2-yliminocyclohexan-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

Related Compounds

6-Acetyl-2,3,4,5-tetrahydropyridine
CID 520300
2-Propionyl-3,4,5,6-tetrahydropyridine
CID 522743
4-Propyliminohexan-3-one
CID 85789809
3-Cyclohexyliminocyclohexan-1-one
CID 145918566
3-Methyliminocyclohexan-1-one
CID 7157389
2-Methyliminocyclohexan-1-one
CID 18322635
4-[(1-Methylethyl)imino]-2-pentanone
CID 20512964
4-(Cyclohexylimino)pentan-2-one
CID 20512965
5-Ethyliminohexan-2-one
CID 20666906
4-Methyliminocyclohexan-1-one
CID 21134185
4-Butan-2-yliminopentan-2-one
CID 53910879
2,5-Bis(methylimino)cyclohexane-1,4-dione
CID 54568642

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yliminocyclohexan-1-one?
The IUPAC name of 3-propan-2-yliminocyclohexan-1-one (CID 91012794) is 3-propan-2-yliminocyclohexan-1-one.
What is the SMILES notation for 3-propan-2-yliminocyclohexan-1-one?
The canonical SMILES for 3-propan-2-yliminocyclohexan-1-one is CC(C)/N=C1\CCCC(=O)C1.
What is the InChIKey of 3-propan-2-yliminocyclohexan-1-one?
The InChIKey is KOIJOAGTBPOZDF-CSKARUKUSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(2)10-8-4-3-5-9(11)6-8/h7H,3-6H2,1-2H3/b10-8+.
What are the key properties of 3-propan-2-yliminocyclohexan-1-one?
3-propan-2-yliminocyclohexan-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yliminocyclohexan-1-one is sourced from PubChem (CID 91012794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).