1-(2-hydroxyethylimino)-4-methylpentan-3-one

C8H15NO2 — CID 139752189

IUPAC1-(2-hydroxyethylimino)-4-methylpentan-3-one
SMILESCC(C)C(=O)C/C=N/CCO
InChIInChI=1S/C8H15NO2/c1-7(2)8(11)3-4-9-5-6-10/h4,7,10H,3,5-6H2,1-2H3/b9-4+
InChIKeyVPWGYANVVOVJBH-RUDMXATFSA-N
MW157.21 g/mol
LogP0.66
Rot. Bonds5

About 1-(2-hydroxyethylimino)-4-methylpentan-3-one

1-(2-hydroxyethylimino)-4-methylpentan-3-one (PubChem CID 139752189) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-(2-hydroxyethylimino)-4-methylpentan-3-one.

Molecular Properties

Compound Name1-(2-hydroxyethylimino)-4-methylpentan-3-one
PubChem CID139752189
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-(2-hydroxyethylimino)-4-methylpentan-3-one
SMILESCC(C)C(=O)C/C=N/CCO
InChIInChI=1S/C8H15NO2/c1-7(2)8(11)3-4-9-5-6-10/h4,7,10H,3,5-6H2,1-2H3/b9-4+
InChIKeyVPWGYANVVOVJBH-RUDMXATFSA-N
XLogP0.66
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(2-hydroxyethylimino)-4-methylpentan-3-one?
The IUPAC name of 1-(2-hydroxyethylimino)-4-methylpentan-3-one (CID 139752189) is 1-(2-hydroxyethylimino)-4-methylpentan-3-one.
What is the SMILES notation for 1-(2-hydroxyethylimino)-4-methylpentan-3-one?
The canonical SMILES for 1-(2-hydroxyethylimino)-4-methylpentan-3-one is CC(C)C(=O)C/C=N/CCO.
What is the InChIKey of 1-(2-hydroxyethylimino)-4-methylpentan-3-one?
The InChIKey is VPWGYANVVOVJBH-RUDMXATFSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(2)8(11)3-4-9-5-6-10/h4,7,10H,3,5-6H2,1-2H3/b9-4+.
What are the key properties of 1-(2-hydroxyethylimino)-4-methylpentan-3-one?
1-(2-hydroxyethylimino)-4-methylpentan-3-one has a molecular weight of 157.21 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethylimino)-4-methylpentan-3-one is sourced from PubChem (CID 139752189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).