(3Z)-3-hydroxyiminopentan-2-ol

C5H11NO2 — CID 19790715

IUPAC(3Z)-3-hydroxyiminopentan-2-ol
SMILESCC/C(=N/O)C(C)O
InChIInChI=1S/C5H11NO2/c1-3-5(6-8)4(2)7/h4,7-8H,3H2,1-2H3/b6-5-
InChIKeyOMMSGJSEZJLPGW-WAYWQWQTSA-N
MW117.15 g/mol
LogP0.61
Rot. Bonds2

About (3Z)-3-hydroxyiminopentan-2-ol

(3Z)-3-hydroxyiminopentan-2-ol (PubChem CID 19790715) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (3Z)-3-hydroxyiminopentan-2-ol.

Molecular Properties

Compound Name(3Z)-3-hydroxyiminopentan-2-ol
PubChem CID19790715
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(3Z)-3-hydroxyiminopentan-2-ol
SMILESCC/C(=N/O)C(C)O
InChIInChI=1S/C5H11NO2/c1-3-5(6-8)4(2)7/h4,7-8H,3H2,1-2H3/b6-5-
InChIKeyOMMSGJSEZJLPGW-WAYWQWQTSA-N
XLogP0.61
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3Z)-3-hydroxyiminopentan-2-ol 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

(3-Methyl-4,5-dihydro-1,2-oxazol-5-yl)methanol
CID 12701348
(5-Methyl-4,5-dihydro-1,2-oxazol-3-yl)methanol
CID 23397001
2,3-Butanedione dioxime, 1-hydroxy-
CID 137241957
2-Hydroxycyclo-hexanone oxime
CID 85385288
Butyroin oxime
CID 88391030
[5-(Fluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol
CID 129018358
(3E)-1,1,1-trifluoro-3-methoxyiminopentan-2-ol
CID 172932984
2-[(Propan-2-ylideneamino)oxy]butan-1-ol
CID 270560
2-Hydroxyiminobutan-1-ol
CID 130121992
(3Z)-1,1,1-trifluoro-3-hydroxyiminopentan-2-ol
CID 152856232
(3E)-1,1,1-trifluoro-3-hydroxyiminopentan-2-ol
CID 172927613
(3E)-3-hydroxyiminobutan-2-ol
CID 12354459

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-hydroxyiminopentan-2-ol?
The IUPAC name of (3Z)-3-hydroxyiminopentan-2-ol (CID 19790715) is (3Z)-3-hydroxyiminopentan-2-ol.
What is the SMILES notation for (3Z)-3-hydroxyiminopentan-2-ol?
The canonical SMILES for (3Z)-3-hydroxyiminopentan-2-ol is CC/C(=N/O)C(C)O.
What is the InChIKey of (3Z)-3-hydroxyiminopentan-2-ol?
The InChIKey is OMMSGJSEZJLPGW-WAYWQWQTSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3-5(6-8)4(2)7/h4,7-8H,3H2,1-2H3/b6-5-.
What are the key properties of (3Z)-3-hydroxyiminopentan-2-ol?
(3Z)-3-hydroxyiminopentan-2-ol has a molecular weight of 117.15 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-hydroxyiminopentan-2-ol is sourced from PubChem (CID 19790715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).