tricyclo[4.2.0.02,8]octan-4-one

C8H10O — CID 91058293

IUPACtricyclo[4.2.0.02,8]octan-4-one
SMILESO=C1CC2CC3C(C1)C23
InChIInChI=1S/C8H10O/c9-5-1-4-2-6-7(3-5)8(4)6/h4,6-8H,1-3H2
InChIKeyUYVZRNQSKHLHCG-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.23
Rot. Bonds

About tricyclo[4.2.0.02,8]octan-4-one

tricyclo[4.2.0.02,8]octan-4-one (PubChem CID 91058293) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is tricyclo[4.2.0.02,8]octan-4-one.

Molecular Properties

Compound Nametricyclo[4.2.0.02,8]octan-4-one
PubChem CID91058293
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Nametricyclo[4.2.0.02,8]octan-4-one
SMILESO=C1CC2CC3C(C1)C23
InChIInChI=1S/C8H10O/c9-5-1-4-2-6-7(3-5)8(4)6/h4,6-8H,1-3H2
InChIKeyUYVZRNQSKHLHCG-UHFFFAOYSA-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

Analyze tricyclo[4.2.0.02,8]octan-4-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

bicyclo[3.2.0]heptan-3-one
CID 12550422
(1S,5S,6R)-6-methylbicyclo[3.2.0]heptan-3-one
CID 89088579
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
(2S,6R,8S)-8-methyltricyclo[5.2.1.02,6]decan-4-one
CID 135037584
(3aR)-1,3,3a,4,5,6,7,7a-octahydroinden-2-one
CID 139265840
(3aS,3bS,6aR,7aS)-1,2,3,3a,3b,4,6,6a,7,7a-decahydrocyclopenta[a]pentalen-5-one
CID 159431469
(3aS,4R,6aS)-4,5,5-trifluoro-1,3,3a,4,6,6a-hexahydropentalen-2-one
CID 164531286
(3aS,7aS)-1,3,3a,4,7,7a-hexahydroinden-2-one
CID 11029897
tricyclo[5.2.1.02,6]dec-8-en-4-one
CID 548712
bicyclo[3.2.0]heptane-3,6-dione
CID 141109024
(3R)-tricyclo[2.2.1.02,6]heptan-3-amine
CID 101101886

Frequently Asked Questions

What is the IUPAC name of tricyclo[4.2.0.02,8]octan-4-one?
The IUPAC name of tricyclo[4.2.0.02,8]octan-4-one (CID 91058293) is tricyclo[4.2.0.02,8]octan-4-one.
What is the SMILES notation for tricyclo[4.2.0.02,8]octan-4-one?
The canonical SMILES for tricyclo[4.2.0.02,8]octan-4-one is O=C1CC2CC3C(C1)C23.
What is the InChIKey of tricyclo[4.2.0.02,8]octan-4-one?
The InChIKey is UYVZRNQSKHLHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c9-5-1-4-2-6-7(3-5)8(4)6/h4,6-8H,1-3H2.
What are the key properties of tricyclo[4.2.0.02,8]octan-4-one?
tricyclo[4.2.0.02,8]octan-4-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 tricyclo[4.2.0.02,8]octan-4-one is sourced from PubChem (CID 91058293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).