(1R,2R,5S,8S)-tricyclo[3.3.0.02,8]octan-3-one

C8H10O — CID 124707475

IUPAC(1R,2R,5S,8S)-tricyclo[3.3.0.02,8]octan-3-one
SMILESO=C1C[C@@H]2CC[C@@H]3[C@@H]1[C@H]23
InChIInChI=1S/C8H10O/c9-6-3-4-1-2-5-7(4)8(5)6/h4-5,7-8H,1-3H2/t4-,5-,7+,8-/m0/s1
InChIKeyLJNOXBUWLCUHMQ-MGVQOFIGSA-N
MW122.17 g/mol
LogP1.23
Rot. Bonds

About (1R,2R,5S,8S)-tricyclo[3.3.0.02,8]octan-3-one

(1R,2R,5S,8S)-tricyclo[3.3.0.02,8]octan-3-one (PubChem CID 124707475) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is (1R,2R,5S,8S)-tricyclo[3.3.0.02,8]octan-3-one.

Molecular Properties

Compound Name(1R,2R,5S,8S)-tricyclo[3.3.0.02,8]octan-3-one
PubChem CID124707475
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name(1R,2R,5S,8S)-tricyclo[3.3.0.02,8]octan-3-one
SMILESO=C1C[C@@H]2CC[C@@H]3[C@@H]1[C@H]23
InChIInChI=1S/C8H10O/c9-6-3-4-1-2-5-7(4)8(5)6/h4-5,7-8H,1-3H2/t4-,5-,7+,8-/m0/s1
InChIKeyLJNOXBUWLCUHMQ-MGVQOFIGSA-N
XLogP1.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,5S)-tricyclo[3.3.0.02,8]octan-3-one
CID 12546431
(1S,4S,7R,10S)-tricyclo[5.2.1.04,10]decan-2-one
CID 95565105
6-hydroxytricyclo[3.2.1.02,7]octan-3-one
CID 72951771
(1R,2R,5R,6R,7S)-6-hydroxytricyclo[3.2.1.02,7]octan-3-one
CID 130966813
(1S,2R,5S)-2-methylbicyclo[3.2.0]heptan-3-one
CID 59077256
(6R,9S,17S,20S)-nonacyclo[13.6.2.14,11.16,9.117,20.02,14.03,12.05,10.016,21]hexacosan-13-one
CID 50908923
(1R,2R,3R,7R,8S,9R,10R,14R)-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadecane-4,6,11,13-tetrone
CID 98550735
(1R,2R,3R,7R,8R,9R,10R,14R)-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadecane-4,6,11,13-tetrone
CID 98550731
tricyclo[5.2.1.02,6]decan-4-one
CID 549023
(1S,2R,6S,7R)-tricyclo[5.2.1.02,6]decan-4-one
CID 102175819
bicyclo[3.2.0]heptan-3-one
CID 12550422
(1S,4R,7R)-7-chlorobicyclo[2.2.1]heptan-2-one
CID 15262521

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S,8S)-tricyclo[3.3.0.02,8]octan-3-one?
The IUPAC name of (1R,2R,5S,8S)-tricyclo[3.3.0.02,8]octan-3-one (CID 124707475) is (1R,2R,5S,8S)-tricyclo[3.3.0.02,8]octan-3-one.
What is the SMILES notation for (1R,2R,5S,8S)-tricyclo[3.3.0.02,8]octan-3-one?
The canonical SMILES for (1R,2R,5S,8S)-tricyclo[3.3.0.02,8]octan-3-one is O=C1C[C@@H]2CC[C@@H]3[C@@H]1[C@H]23.
What is the InChIKey of (1R,2R,5S,8S)-tricyclo[3.3.0.02,8]octan-3-one?
The InChIKey is LJNOXBUWLCUHMQ-MGVQOFIGSA-N. The full InChI is InChI=1S/C8H10O/c9-6-3-4-1-2-5-7(4)8(5)6/h4-5,7-8H,1-3H2/t4-,5-,7+,8-/m0/s1.
What are the key properties of (1R,2R,5S,8S)-tricyclo[3.3.0.02,8]octan-3-one?
(1R,2R,5S,8S)-tricyclo[3.3.0.02,8]octan-3-one has a molecular weight of 122.17 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S,8S)-tricyclo[3.3.0.02,8]octan-3-one is sourced from PubChem (CID 124707475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).