(1S,2R,6S,7S)-tricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione

C10H8O2 — CID 98644929

IUPAC(1S,2R,6S,7S)-tricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione
SMILESO=C1C=C[C@@H]2[C@@H]1[C@@H]1C=C[C@@H]2C1=O
InChIInChI=1S/C10H8O2/c11-8-4-3-5-6-1-2-7(9(5)8)10(6)12/h1-7,9H/t5-,6-,7-,9+/m0/s1
InChIKeyCQDFTDKTCBPRCW-BMLSCUAFSA-N
MW160.17 g/mol
LogP0.74
Rot. Bonds

About (1S,2R,6S,7S)-tricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione

(1S,2R,6S,7S)-tricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione (PubChem CID 98644929) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is (1S,2R,6S,7S)-tricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione.

Molecular Properties

Compound Name(1S,2R,6S,7S)-tricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione
PubChem CID98644929
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name(1S,2R,6S,7S)-tricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione
SMILESO=C1C=C[C@@H]2[C@@H]1[C@@H]1C=C[C@@H]2C1=O
InChIInChI=1S/C10H8O2/c11-8-4-3-5-6-1-2-7(9(5)8)10(6)12/h1-7,9H/t5-,6-,7-,9+/m0/s1
InChIKeyCQDFTDKTCBPRCW-BMLSCUAFSA-N
XLogP0.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2R,6S,7S)-tricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione with MolForge

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Related Compounds

(1S,2S,6R,7R)-tricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione
CID 15130687
bicyclo[2.1.0]pent-2-en-5-one
CID 71441751
(5R)-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylic acid
CID 150649700
4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate
CID 22119104
(1S,2R,5S,6R,7R,9S)-8,8-dichlorotetracyclo[4.3.1.12,5.07,9]undec-3-ene-10,11-dione
CID 12727187
(1R)-bicyclo[3.2.0]hepta-3,6-dien-2-one
CID 71445549
(1S,7S)-tricyclo[5.2.1.02,6]deca-3,8-dien-10-one
CID 102033792
(3aR,3bS,6aR,7aS)-3b,6a,7,7a-tetrahydro-3aH-cyclopenta[a]pentalene-3,4-dione
CID 11480744
tricyclo[5.2.1.02,6]dec-4-ene-3,9-dione
CID 85263674
11-sulfanyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
CID 102148026
4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,10-dione
CID 130038372
ethenyl (1R,5S,6S)-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate
CID 59712893

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6S,7S)-tricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione?
The IUPAC name of (1S,2R,6S,7S)-tricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione (CID 98644929) is (1S,2R,6S,7S)-tricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione.
What is the SMILES notation for (1S,2R,6S,7S)-tricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione?
The canonical SMILES for (1S,2R,6S,7S)-tricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione is O=C1C=C[C@@H]2[C@@H]1[C@@H]1C=C[C@@H]2C1=O.
What is the InChIKey of (1S,2R,6S,7S)-tricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione?
The InChIKey is CQDFTDKTCBPRCW-BMLSCUAFSA-N. The full InChI is InChI=1S/C10H8O2/c11-8-4-3-5-6-1-2-7(9(5)8)10(6)12/h1-7,9H/t5-,6-,7-,9+/m0/s1.
What are the key properties of (1S,2R,6S,7S)-tricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione?
(1S,2R,6S,7S)-tricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione has a molecular weight of 160.17 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6S,7S)-tricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione is sourced from PubChem (CID 98644929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).