(1R,2R,5R,6R,7S)-6-hydroxytricyclo[3.2.1.02,7]octan-3-one

C8H10O2 — CID 130966813

IUPAC(1R,2R,5R,6R,7S)-6-hydroxytricyclo[3.2.1.02,7]octan-3-one
SMILESO=C1C[C@H]2C[C@H]3[C@@H]1[C@H]3[C@@H]2O
InChIInChI=1S/C8H10O2/c9-5-2-3-1-4-6(5)7(4)8(3)10/h3-4,6-8,10H,1-2H2/t3-,4+,6+,7+,8-/m1/s1
InChIKeyZQRLHJNDJFEZJL-AGGUKDSISA-N
MW138.17 g/mol
LogP0.20
Rot. Bonds

About (1R,2R,5R,6R,7S)-6-hydroxytricyclo[3.2.1.02,7]octan-3-one

(1R,2R,5R,6R,7S)-6-hydroxytricyclo[3.2.1.02,7]octan-3-one (PubChem CID 130966813) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (1R,2R,5R,6R,7S)-6-hydroxytricyclo[3.2.1.02,7]octan-3-one.

Molecular Properties

Compound Name(1R,2R,5R,6R,7S)-6-hydroxytricyclo[3.2.1.02,7]octan-3-one
PubChem CID130966813
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(1R,2R,5R,6R,7S)-6-hydroxytricyclo[3.2.1.02,7]octan-3-one
SMILESO=C1C[C@H]2C[C@H]3[C@@H]1[C@H]3[C@@H]2O
InChIInChI=1S/C8H10O2/c9-5-2-3-1-4-6(5)7(4)8(3)10/h3-4,6-8,10H,1-2H2/t3-,4+,6+,7+,8-/m1/s1
InChIKeyZQRLHJNDJFEZJL-AGGUKDSISA-N
XLogP0.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2R,5R,6R,7S)-6-hydroxytricyclo[3.2.1.02,7]octan-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

6-hydroxytricyclo[3.2.1.02,7]octan-3-one
CID 72951771
(1R,2R,5S,8S)-tricyclo[3.3.0.02,8]octan-3-one
CID 124707475
(1R,5S)-tricyclo[3.3.0.02,8]octan-3-one
CID 12546431
4,5-dihydroxytricyclo[5.2.1.02,6]decan-8-one
CID 130126797
(1R,3R,6R)-tricyclo[2.2.1.02,6]heptan-3-ol
CID 6979104
pentacyclo[5.5.0.02,6.03,10.05,9]dodecane-8,12-dione
CID 14639363
tricyclo[4.2.0.02,8]octan-4-one
CID 91058293
(1R,4R,5S,8S,9S,12R)-tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-2,7-dione
CID 98557587
(1S,2S,3R,5S,6S,7S,9R,10S)-pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-dione
CID 124710529
(1R,3S,6S,7R)-4,5-diazatricyclo[4.3.0.03,7]non-4-en-8-one
CID 131019663
(1S,6R,7R,8S)-7,8-dihydroxy-3-oxabicyclo[4.2.1]nonan-4-one
CID 71603023
8-hydroxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 58279952

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R,6R,7S)-6-hydroxytricyclo[3.2.1.02,7]octan-3-one?
The IUPAC name of (1R,2R,5R,6R,7S)-6-hydroxytricyclo[3.2.1.02,7]octan-3-one (CID 130966813) is (1R,2R,5R,6R,7S)-6-hydroxytricyclo[3.2.1.02,7]octan-3-one.
What is the SMILES notation for (1R,2R,5R,6R,7S)-6-hydroxytricyclo[3.2.1.02,7]octan-3-one?
The canonical SMILES for (1R,2R,5R,6R,7S)-6-hydroxytricyclo[3.2.1.02,7]octan-3-one is O=C1C[C@H]2C[C@H]3[C@@H]1[C@H]3[C@@H]2O.
What is the InChIKey of (1R,2R,5R,6R,7S)-6-hydroxytricyclo[3.2.1.02,7]octan-3-one?
The InChIKey is ZQRLHJNDJFEZJL-AGGUKDSISA-N. The full InChI is InChI=1S/C8H10O2/c9-5-2-3-1-4-6(5)7(4)8(3)10/h3-4,6-8,10H,1-2H2/t3-,4+,6+,7+,8-/m1/s1.
What are the key properties of (1R,2R,5R,6R,7S)-6-hydroxytricyclo[3.2.1.02,7]octan-3-one?
(1R,2R,5R,6R,7S)-6-hydroxytricyclo[3.2.1.02,7]octan-3-one has a molecular weight of 138.17 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R,6R,7S)-6-hydroxytricyclo[3.2.1.02,7]octan-3-one is sourced from PubChem (CID 130966813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).