tricyclo[5.2.1.02,6]dec-4-ene-3,9-dione

C10H10O2 — CID 85263674

IUPACtricyclo[5.2.1.02,6]dec-4-ene-3,9-dione
SMILESO=C1CC2CC1C1C(=O)C=CC21
InChIInChI=1S/C10H10O2/c11-8-2-1-6-5-3-7(10(6)8)9(12)4-5/h1-2,5-7,10H,3-4H2
InChIKeyNPIUWAOIDJDWRQ-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.97
Rot. Bonds

About tricyclo[5.2.1.02,6]dec-4-ene-3,9-dione

tricyclo[5.2.1.02,6]dec-4-ene-3,9-dione (PubChem CID 85263674) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is tricyclo[5.2.1.02,6]dec-4-ene-3,9-dione.

Molecular Properties

Compound Nametricyclo[5.2.1.02,6]dec-4-ene-3,9-dione
PubChem CID85263674
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Nametricyclo[5.2.1.02,6]dec-4-ene-3,9-dione
SMILESO=C1CC2CC1C1C(=O)C=CC21
InChIInChI=1S/C10H10O2/c11-8-2-1-6-5-3-7(10(6)8)9(12)4-5/h1-2,5-7,10H,3-4H2
InChIKeyNPIUWAOIDJDWRQ-UHFFFAOYSA-N
XLogP0.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S,5R,7S)-tricyclo[5.3.0.02,5]dec-8-ene-3,10-dione
CID 130863271
(1R,2R,6R,7S)-4-oxatricyclo[5.2.1.02,6]decane-3,5,8-trione
CID 98116525
(3aR,3bS,6aR,7aS)-3b,6a,7,7a-tetrahydro-3aH-cyclopenta[a]pentalene-3,4-dione
CID 11480744
4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate
CID 22119104
(1S,2R,6S,7S)-tricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione
CID 98644929
(1S,2S,6R,7R)-tricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione
CID 15130687
tert-butyl (2R,4aS,7R,8aS)-7-[(1S,4aS,8aR)-4-oxo-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]-2-methyl-5-oxo-2,3,4,4a,6,7,8,8a-octahydroquinoline-1-carboxylate
CID 139252605
4,5-dihydroxytricyclo[5.2.1.02,6]decan-8-one
CID 130126797
(2R,6R)-tricyclo[5.2.1.02,6]decan-8-one
CID 91749107
(5R)-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylic acid
CID 150649700
3,7-dimethyl-3,3a,7,7a-tetrahydro-1H-indene-2,4-dione
CID 85125810
(1R,3S,6S,7R)-4,5-diazatricyclo[4.3.0.03,7]non-4-en-8-one
CID 131019663

Frequently Asked Questions

What is the IUPAC name of tricyclo[5.2.1.02,6]dec-4-ene-3,9-dione?
The IUPAC name of tricyclo[5.2.1.02,6]dec-4-ene-3,9-dione (CID 85263674) is tricyclo[5.2.1.02,6]dec-4-ene-3,9-dione.
What is the SMILES notation for tricyclo[5.2.1.02,6]dec-4-ene-3,9-dione?
The canonical SMILES for tricyclo[5.2.1.02,6]dec-4-ene-3,9-dione is O=C1CC2CC1C1C(=O)C=CC21.
What is the InChIKey of tricyclo[5.2.1.02,6]dec-4-ene-3,9-dione?
The InChIKey is NPIUWAOIDJDWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c11-8-2-1-6-5-3-7(10(6)8)9(12)4-5/h1-2,5-7,10H,3-4H2.
What are the key properties of tricyclo[5.2.1.02,6]dec-4-ene-3,9-dione?
tricyclo[5.2.1.02,6]dec-4-ene-3,9-dione has a molecular weight of 162.19 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.2.1.02,6]dec-4-ene-3,9-dione is sourced from PubChem (CID 85263674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).