1-(2-hydroxyethylimino)pentan-3-one

C7H13NO2 — CID 139752181

IUPAC1-(2-hydroxyethylimino)pentan-3-one
SMILESCCC(=O)C/C=N/CCO
InChIInChI=1S/C7H13NO2/c1-2-7(10)3-4-8-5-6-9/h4,9H,2-3,5-6H2,1H3/b8-4+
InChIKeySCFUNGFGMREPHV-XBXARRHUSA-N
MW143.19 g/mol
LogP0.42
Rot. Bonds5

About 1-(2-hydroxyethylimino)pentan-3-one

1-(2-hydroxyethylimino)pentan-3-one (PubChem CID 139752181) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-(2-hydroxyethylimino)pentan-3-one.

Molecular Properties

Compound Name1-(2-hydroxyethylimino)pentan-3-one
PubChem CID139752181
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1-(2-hydroxyethylimino)pentan-3-one
SMILESCCC(=O)C/C=N/CCO
InChIInChI=1S/C7H13NO2/c1-2-7(10)3-4-8-5-6-9/h4,9H,2-3,5-6H2,1H3/b8-4+
InChIKeySCFUNGFGMREPHV-XBXARRHUSA-N
XLogP0.42
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-hydroxyethylimino)pentan-3-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 1-(2-hydroxyethylimino)pentan-3-one?
The IUPAC name of 1-(2-hydroxyethylimino)pentan-3-one (CID 139752181) is 1-(2-hydroxyethylimino)pentan-3-one.
What is the SMILES notation for 1-(2-hydroxyethylimino)pentan-3-one?
The canonical SMILES for 1-(2-hydroxyethylimino)pentan-3-one is CCC(=O)C/C=N/CCO.
What is the InChIKey of 1-(2-hydroxyethylimino)pentan-3-one?
The InChIKey is SCFUNGFGMREPHV-XBXARRHUSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-7(10)3-4-8-5-6-9/h4,9H,2-3,5-6H2,1H3/b8-4+.
What are the key properties of 1-(2-hydroxyethylimino)pentan-3-one?
1-(2-hydroxyethylimino)pentan-3-one has a molecular weight of 143.19 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethylimino)pentan-3-one is sourced from PubChem (CID 139752181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).