(1R,2R,7S,8S)-7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one

C11H14O2 — CID 15886501

IUPAC(1R,2R,7S,8S)-7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one
SMILESO=C1CCC[C@]2(O)[C@@H]3C=C[C@@H](C3)[C@@H]12
InChIInChI=1S/C11H14O2/c12-9-2-1-5-11(13)8-4-3-7(6-8)10(9)11/h3-4,7-8,10,13H,1-2,5-6H2/t7-,8+,10-,11-/m0/s1
InChIKeyQSGZMCGKKHBCLU-OEIWMXHLSA-N
MW178.23 g/mol
LogP1.29
Rot. Bonds

About (1R,2R,7S,8S)-7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one

(1R,2R,7S,8S)-7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one (PubChem CID 15886501) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (1R,2R,7S,8S)-7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one.

Molecular Properties

Compound Name(1R,2R,7S,8S)-7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one
PubChem CID15886501
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(1R,2R,7S,8S)-7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one
SMILESO=C1CCC[C@]2(O)[C@@H]3C=C[C@@H](C3)[C@@H]12
InChIInChI=1S/C11H14O2/c12-9-2-1-5-11(13)8-4-3-7(6-8)10(9)11/h3-4,7-8,10,13H,1-2,5-6H2/t7-,8+,10-,11-/m0/s1
InChIKeyQSGZMCGKKHBCLU-OEIWMXHLSA-N
XLogP1.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2R,7S,8S)-7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-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 (1R,2R,7S,8S)-7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one?
The IUPAC name of (1R,2R,7S,8S)-7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one (CID 15886501) is (1R,2R,7S,8S)-7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one.
What is the SMILES notation for (1R,2R,7S,8S)-7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one?
The canonical SMILES for (1R,2R,7S,8S)-7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one is O=C1CCC[C@]2(O)[C@@H]3C=C[C@@H](C3)[C@@H]12.
What is the InChIKey of (1R,2R,7S,8S)-7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one?
The InChIKey is QSGZMCGKKHBCLU-OEIWMXHLSA-N. The full InChI is InChI=1S/C11H14O2/c12-9-2-1-5-11(13)8-4-3-7(6-8)10(9)11/h3-4,7-8,10,13H,1-2,5-6H2/t7-,8+,10-,11-/m0/s1.
What are the key properties of (1R,2R,7S,8S)-7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one?
(1R,2R,7S,8S)-7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one has a molecular weight of 178.23 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,7S,8S)-7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one is sourced from PubChem (CID 15886501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).