4-hydroxyimino-1-oxaspiro[4.5]decan-2-one

C9H13NO3 — CID 166446105

IUPAC4-hydroxyimino-1-oxaspiro[4.5]decan-2-one
SMILESO=C1CC(=NO)C2(CCCCC2)O1
InChIInChI=1S/C9H13NO3/c11-8-6-7(10-12)9(13-8)4-2-1-3-5-9/h12H,1-6H2
InChIKeyGCUQJDFVIUHPTF-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.47
Rot. Bonds

About 4-hydroxyimino-1-oxaspiro[4.5]decan-2-one

4-hydroxyimino-1-oxaspiro[4.5]decan-2-one (PubChem CID 166446105) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-hydroxyimino-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-hydroxyimino-1-oxaspiro[4.5]decan-2-one
PubChem CID166446105
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name4-hydroxyimino-1-oxaspiro[4.5]decan-2-one
SMILESO=C1CC(=NO)C2(CCCCC2)O1
InChIInChI=1S/C9H13NO3/c11-8-6-7(10-12)9(13-8)4-2-1-3-5-9/h12H,1-6H2
InChIKeyGCUQJDFVIUHPTF-UHFFFAOYSA-N
XLogP1.47
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-hydroxyimino-1-oxaspiro[4.5]decan-2-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 4-hydroxyimino-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of 4-hydroxyimino-1-oxaspiro[4.5]decan-2-one (CID 166446105) is 4-hydroxyimino-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-hydroxyimino-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for 4-hydroxyimino-1-oxaspiro[4.5]decan-2-one is O=C1CC(=NO)C2(CCCCC2)O1.
What is the InChIKey of 4-hydroxyimino-1-oxaspiro[4.5]decan-2-one?
The InChIKey is GCUQJDFVIUHPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c11-8-6-7(10-12)9(13-8)4-2-1-3-5-9/h12H,1-6H2.
What are the key properties of 4-hydroxyimino-1-oxaspiro[4.5]decan-2-one?
4-hydroxyimino-1-oxaspiro[4.5]decan-2-one has a molecular weight of 183.21 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyimino-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 166446105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).