3-(2-hydroxypropylimino)cyclohexan-1-one

C9H15NO2 — CID 123212642

IUPAC3-(2-hydroxypropylimino)cyclohexan-1-one
SMILESCC(O)C/N=C1\CCCC(=O)C1
InChIInChI=1S/C9H15NO2/c1-7(11)6-10-8-3-2-4-9(12)5-8/h7,11H,2-6H2,1H3/b10-8+
InChIKeyDWJSJUBMBNFNOX-CSKARUKUSA-N
MW169.22 g/mol
LogP0.95
Rot. Bonds2

About 3-(2-hydroxypropylimino)cyclohexan-1-one

3-(2-hydroxypropylimino)cyclohexan-1-one (PubChem CID 123212642) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-(2-hydroxypropylimino)cyclohexan-1-one.

Molecular Properties

Compound Name3-(2-hydroxypropylimino)cyclohexan-1-one
PubChem CID123212642
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-(2-hydroxypropylimino)cyclohexan-1-one
SMILESCC(O)C/N=C1\CCCC(=O)C1
InChIInChI=1S/C9H15NO2/c1-7(11)6-10-8-3-2-4-9(12)5-8/h7,11H,2-6H2,1H3/b10-8+
InChIKeyDWJSJUBMBNFNOX-CSKARUKUSA-N
XLogP0.95
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-hydroxypropylimino)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

Related Compounds

(3E)-3-[(2-Hydroxyethyl)imino]cyclohexan-1-one
CID 13375163
(4E)-4-[(2-Hydroxypropyl)imino]pentan-2-one
CID 71357649
3-(3-Hydroxypentan-2-ylimino)cyclohexan-1-one
CID 90059427
2,5-Bis(2-hydroxyethylimino)cyclohexane-1,4-dione
CID 90731117
5-(2-Hydroxyethylimino)heptan-3-one
CID 139343060
5-(1-Hydroxyethylimino)heptan-3-one
CID 173815352
3-[(2S)-1-hydroxybutan-2-yl]iminocyclohexan-1-one
CID 7750696
3-[(2R)-1-hydroxybutan-2-yl]iminocyclohexan-1-one
CID 7750697
4-[(2R)-2-hydroxypropyl]iminopentan-2-one
CID 100989127
4-[(2S)-2-hydroxypropyl]iminopentan-2-one
CID 101171162

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropylimino)cyclohexan-1-one?
The IUPAC name of 3-(2-hydroxypropylimino)cyclohexan-1-one (CID 123212642) is 3-(2-hydroxypropylimino)cyclohexan-1-one.
What is the SMILES notation for 3-(2-hydroxypropylimino)cyclohexan-1-one?
The canonical SMILES for 3-(2-hydroxypropylimino)cyclohexan-1-one is CC(O)C/N=C1\CCCC(=O)C1.
What is the InChIKey of 3-(2-hydroxypropylimino)cyclohexan-1-one?
The InChIKey is DWJSJUBMBNFNOX-CSKARUKUSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(11)6-10-8-3-2-4-9(12)5-8/h7,11H,2-6H2,1H3/b10-8+.
What are the key properties of 3-(2-hydroxypropylimino)cyclohexan-1-one?
3-(2-hydroxypropylimino)cyclohexan-1-one has a molecular weight of 169.22 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropylimino)cyclohexan-1-one is sourced from PubChem (CID 123212642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).