(1R,2R,9R)-tricyclo[7.2.1.02,6]dodec-10-en-3-one

C12H16O — CID 91249500

IUPAC(1R,2R,9R)-tricyclo[7.2.1.02,6]dodec-10-en-3-one
SMILESO=C1CCC2CC[C@H]3C=C[C@@H](C3)[C@H]12
InChIInChI=1S/C12H16O/c13-11-6-5-9-3-1-8-2-4-10(7-8)12(9)11/h2,4,8-10,12H,1,3,5-7H2/t8-,9?,10-,12+/m0/s1
InChIKeyZQQCORKWZYTLJR-YFYGNXCZSA-N
MW176.26 g/mol
LogP2.57
Rot. Bonds

About (1R,2R,9R)-tricyclo[7.2.1.02,6]dodec-10-en-3-one

(1R,2R,9R)-tricyclo[7.2.1.02,6]dodec-10-en-3-one (PubChem CID 91249500) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (1R,2R,9R)-tricyclo[7.2.1.02,6]dodec-10-en-3-one.

Molecular Properties

Compound Name(1R,2R,9R)-tricyclo[7.2.1.02,6]dodec-10-en-3-one
PubChem CID91249500
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(1R,2R,9R)-tricyclo[7.2.1.02,6]dodec-10-en-3-one
SMILESO=C1CCC2CC[C@H]3C=C[C@@H](C3)[C@H]12
InChIInChI=1S/C12H16O/c13-11-6-5-9-3-1-8-2-4-10(7-8)12(9)11/h2,4,8-10,12H,1,3,5-7H2/t8-,9?,10-,12+/m0/s1
InChIKeyZQQCORKWZYTLJR-YFYGNXCZSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2R,9R)-tricyclo[7.2.1.02,6]dodec-10-en-3-one with MolForge

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Launch Full Analysis

Related Compounds

(1S,2S,7R,8R)-tricyclo[6.2.1.02,7]undec-9-en-3-one
CID 122234156
(3aS,6aR)-6-prop-1-en-2-yl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
CID 130906170
(2S,4S,5S,8S,9R,11R)-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione
CID 132540584
(1S,2R,4S,5R,8S,9S,11S,12R)-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione
CID 11889790
6-methylidenetricyclo[6.2.1.02,7]undec-9-en-3-one
CID 130036633
(1R,5R)-bicyclo[3.2.2]non-6-en-2-one
CID 131021178
(1R,5R,7R)-7-methylbicyclo[3.2.0]heptan-2-one
CID 129321356
(1R,4S)-bicyclo[2.2.1]hept-2-ene
CID 638051
(1R,2R,5S,6S)-3-azatricyclo[4.2.1.02,5]non-7-en-4-one;(1R,6S)-3-azatricyclo[4.2.1.02,5]non-7-en-4-one
CID 161392599
bicyclo[3.2.0]heptan-2-one
CID 543759
(1R,2S,7R,8S)-tricyclo[6.2.2.02,7]dodec-9-en-3-one
CID 11217553
(1S,2S,6S,7S)-tricyclo[5.3.0.02,6]decane-3,10-dione
CID 2752996

Frequently Asked Questions

What is the IUPAC name of (1R,2R,9R)-tricyclo[7.2.1.02,6]dodec-10-en-3-one?
The IUPAC name of (1R,2R,9R)-tricyclo[7.2.1.02,6]dodec-10-en-3-one (CID 91249500) is (1R,2R,9R)-tricyclo[7.2.1.02,6]dodec-10-en-3-one.
What is the SMILES notation for (1R,2R,9R)-tricyclo[7.2.1.02,6]dodec-10-en-3-one?
The canonical SMILES for (1R,2R,9R)-tricyclo[7.2.1.02,6]dodec-10-en-3-one is O=C1CCC2CC[C@H]3C=C[C@@H](C3)[C@H]12.
What is the InChIKey of (1R,2R,9R)-tricyclo[7.2.1.02,6]dodec-10-en-3-one?
The InChIKey is ZQQCORKWZYTLJR-YFYGNXCZSA-N. The full InChI is InChI=1S/C12H16O/c13-11-6-5-9-3-1-8-2-4-10(7-8)12(9)11/h2,4,8-10,12H,1,3,5-7H2/t8-,9?,10-,12+/m0/s1.
What are the key properties of (1R,2R,9R)-tricyclo[7.2.1.02,6]dodec-10-en-3-one?
(1R,2R,9R)-tricyclo[7.2.1.02,6]dodec-10-en-3-one has a molecular weight of 176.26 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,9R)-tricyclo[7.2.1.02,6]dodec-10-en-3-one is sourced from PubChem (CID 91249500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).