7-hydroxybicyclo[3.3.1]non-2-en-9-one

C9H12O2 — CID 556342

IUPAC7-hydroxybicyclo[3.3.1]non-2-en-9-one
SMILESO=C1C2C=CCC1CC(O)C2
InChIInChI=1S/C9H12O2/c10-8-4-6-2-1-3-7(5-8)9(6)11/h1-2,6-8,10H,3-5H2
InChIKeyQUEXOPSZXZHSLL-UHFFFAOYSA-N
MW152.19 g/mol
LogP0.90
Rot. Bonds

About 7-hydroxybicyclo[3.3.1]non-2-en-9-one

7-hydroxybicyclo[3.3.1]non-2-en-9-one (PubChem CID 556342) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 7-hydroxybicyclo[3.3.1]non-2-en-9-one.

Molecular Properties

Compound Name7-hydroxybicyclo[3.3.1]non-2-en-9-one
PubChem CID556342
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name7-hydroxybicyclo[3.3.1]non-2-en-9-one
SMILESO=C1C2C=CCC1CC(O)C2
InChIInChI=1S/C9H12O2/c10-8-4-6-2-1-3-7(5-8)9(6)11/h1-2,6-8,10H,3-5H2
InChIKeyQUEXOPSZXZHSLL-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxybicyclo[3.3.1]non-2-en-9-one?
The IUPAC name of 7-hydroxybicyclo[3.3.1]non-2-en-9-one (CID 556342) is 7-hydroxybicyclo[3.3.1]non-2-en-9-one.
What is the SMILES notation for 7-hydroxybicyclo[3.3.1]non-2-en-9-one?
The canonical SMILES for 7-hydroxybicyclo[3.3.1]non-2-en-9-one is O=C1C2C=CCC1CC(O)C2.
What is the InChIKey of 7-hydroxybicyclo[3.3.1]non-2-en-9-one?
The InChIKey is QUEXOPSZXZHSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c10-8-4-6-2-1-3-7(5-8)9(6)11/h1-2,6-8,10H,3-5H2.
What are the key properties of 7-hydroxybicyclo[3.3.1]non-2-en-9-one?
7-hydroxybicyclo[3.3.1]non-2-en-9-one has a molecular weight of 152.19 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxybicyclo[3.3.1]non-2-en-9-one is sourced from PubChem (CID 556342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).