1-hydroxyspiro[4.4]non-2-en-4-one

C9H12O2 — CID 14294736

IUPAC1-hydroxyspiro[4.4]non-2-en-4-one
SMILESO=C1C=CC(O)C12CCCC2
InChIInChI=1S/C9H12O2/c10-7-3-4-8(11)9(7)5-1-2-6-9/h3-4,7,10H,1-2,5-6H2
InChIKeyQLMRPZWHKZZYOW-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.05
Rot. Bonds

About 1-hydroxyspiro[4.4]non-2-en-4-one

1-hydroxyspiro[4.4]non-2-en-4-one (PubChem CID 14294736) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-hydroxyspiro[4.4]non-2-en-4-one.

Molecular Properties

Compound Name1-hydroxyspiro[4.4]non-2-en-4-one
PubChem CID14294736
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name1-hydroxyspiro[4.4]non-2-en-4-one
SMILESO=C1C=CC(O)C12CCCC2
InChIInChI=1S/C9H12O2/c10-7-3-4-8(11)9(7)5-1-2-6-9/h3-4,7,10H,1-2,5-6H2
InChIKeyQLMRPZWHKZZYOW-UHFFFAOYSA-N
XLogP1.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-hydroxyspiro[4.4]non-2-en-4-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-hydroxyspiro[4.4]non-2-en-4-one?
The IUPAC name of 1-hydroxyspiro[4.4]non-2-en-4-one (CID 14294736) is 1-hydroxyspiro[4.4]non-2-en-4-one.
What is the SMILES notation for 1-hydroxyspiro[4.4]non-2-en-4-one?
The canonical SMILES for 1-hydroxyspiro[4.4]non-2-en-4-one is O=C1C=CC(O)C12CCCC2.
What is the InChIKey of 1-hydroxyspiro[4.4]non-2-en-4-one?
The InChIKey is QLMRPZWHKZZYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c10-7-3-4-8(11)9(7)5-1-2-6-9/h3-4,7,10H,1-2,5-6H2.
What are the key properties of 1-hydroxyspiro[4.4]non-2-en-4-one?
1-hydroxyspiro[4.4]non-2-en-4-one has a molecular weight of 152.19 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyspiro[4.4]non-2-en-4-one is sourced from PubChem (CID 14294736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).