4-hydroxyiminopentan-2-ol

C5H11NO2 — CID 130124672

IUPAC4-hydroxyiminopentan-2-ol
SMILESCC(CC(C)O)=NO
InChIInChI=1S/C5H11NO2/c1-4(6-8)3-5(2)7/h5,7-8H,3H2,1-2H3
InChIKeyQROVCYCDIMEWDY-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.61
Rot. Bonds2

About 4-hydroxyiminopentan-2-ol

4-hydroxyiminopentan-2-ol (PubChem CID 130124672) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 4-hydroxyiminopentan-2-ol.

Molecular Properties

Compound Name4-hydroxyiminopentan-2-ol
PubChem CID130124672
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name4-hydroxyiminopentan-2-ol
SMILESCC(CC(C)O)=NO
InChIInChI=1S/C5H11NO2/c1-4(6-8)3-5(2)7/h5,7-8H,3H2,1-2H3
InChIKeyQROVCYCDIMEWDY-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxyiminopentan-2-ol?
The IUPAC name of 4-hydroxyiminopentan-2-ol (CID 130124672) is 4-hydroxyiminopentan-2-ol.
What is the SMILES notation for 4-hydroxyiminopentan-2-ol?
The canonical SMILES for 4-hydroxyiminopentan-2-ol is CC(CC(C)O)=NO.
What is the InChIKey of 4-hydroxyiminopentan-2-ol?
The InChIKey is QROVCYCDIMEWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-4(6-8)3-5(2)7/h5,7-8H,3H2,1-2H3.
What are the key properties of 4-hydroxyiminopentan-2-ol?
4-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 4-hydroxyiminopentan-2-ol is sourced from PubChem (CID 130124672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).