(1S,2R,6R,7S,8R)-6-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one

C11H14O2 — CID 11019417

IUPAC(1S,2R,6R,7S,8R)-6-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one
SMILESO=C1CC[C@@H](O)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C11H14O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h1-2,6-8,10-12H,3-5H2/t6-,7+,8+,10+,11-/m0/s1
InChIKeyFGKQCHLQJBBSMW-AIYFCXAUSA-N
MW178.23 g/mol
LogP1.15
Rot. Bonds

About (1S,2R,6R,7S,8R)-6-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one

(1S,2R,6R,7S,8R)-6-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one (PubChem CID 11019417) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (1S,2R,6R,7S,8R)-6-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one.

Molecular Properties

Compound Name(1S,2R,6R,7S,8R)-6-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one
PubChem CID11019417
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(1S,2R,6R,7S,8R)-6-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one
SMILESO=C1CC[C@@H](O)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C11H14O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h1-2,6-8,10-12H,3-5H2/t6-,7+,8+,10+,11-/m0/s1
InChIKeyFGKQCHLQJBBSMW-AIYFCXAUSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2R,6R,7S,8R)-6-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

Related Compounds

(1R,2S,6S,7R,8R)-6-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one
CID 162661405
(1R,2S,6S,7R,8S)-6-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one
CID 11805300
6-Hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one
CID 72784755
(1R,2S,6S,7R,8S)-6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
CID 11137652
(3R,3aR,7S,7aR)-3-ethenyl-7-hydroxy-3a-methyl-2,3,5,6,7,7a-hexahydro-1H-inden-4-one
CID 11708216
(2S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-2-cyclohexyl-2-hydroxyethanone
CID 13100176
(1R,2S,6R,7R,8S)-6-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one
CID 131004253
(6S)-6-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one
CID 134973798
1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-2-cyclohexyl-2-hydroxyethanone
CID 134979365
1-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-2-cyclohexyl-2-hydroxyethanone
CID 134980831
(1S,2R,6R,7S,8R)-6-methoxytricyclo[6.2.1.02,7]undec-9-en-3-one
CID 134987492
anti(9,10)-10-endo-Hydroxytricyclo(4.2.1.1(2,5))deca-3,7-dien-9-one
CID 144106

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R,7S,8R)-6-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one?
The IUPAC name of (1S,2R,6R,7S,8R)-6-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one (CID 11019417) is (1S,2R,6R,7S,8R)-6-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one.
What is the SMILES notation for (1S,2R,6R,7S,8R)-6-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one?
The canonical SMILES for (1S,2R,6R,7S,8R)-6-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one is O=C1CC[C@@H](O)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1.
What is the InChIKey of (1S,2R,6R,7S,8R)-6-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one?
The InChIKey is FGKQCHLQJBBSMW-AIYFCXAUSA-N. The full InChI is InChI=1S/C11H14O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h1-2,6-8,10-12H,3-5H2/t6-,7+,8+,10+,11-/m0/s1.
What are the key properties of (1S,2R,6R,7S,8R)-6-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one?
(1S,2R,6R,7S,8R)-6-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one has a molecular weight of 178.23 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R,7S,8R)-6-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one is sourced from PubChem (CID 11019417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).