(1S,8S)-tricyclo[6.2.1.02,6]undeca-2(6),9-dien-3-one

C11H12O — CID 131041323

IUPAC(1S,8S)-tricyclo[6.2.1.02,6]undeca-2(6),9-dien-3-one
SMILESO=C1CCC2=C1[C@@H]1C=C[C@H](C2)C1
InChIInChI=1S/C11H12O/c12-10-4-3-9-6-7-1-2-8(5-7)11(9)10/h1-2,7-8H,3-6H2/t7-,8+/m0/s1
InChIKeyNKFQJOSEAWLQNL-JGVFFNPUSA-N
MW160.22 g/mol
LogP2.24
Rot. Bonds

About (1S,8S)-tricyclo[6.2.1.02,6]undeca-2(6),9-dien-3-one

(1S,8S)-tricyclo[6.2.1.02,6]undeca-2(6),9-dien-3-one (PubChem CID 131041323) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is (1S,8S)-tricyclo[6.2.1.02,6]undeca-2(6),9-dien-3-one.

Molecular Properties

Compound Name(1S,8S)-tricyclo[6.2.1.02,6]undeca-2(6),9-dien-3-one
PubChem CID131041323
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name(1S,8S)-tricyclo[6.2.1.02,6]undeca-2(6),9-dien-3-one
SMILESO=C1CCC2=C1[C@@H]1C=C[C@H](C2)C1
InChIInChI=1S/C11H12O/c12-10-4-3-9-6-7-1-2-8(5-7)11(9)10/h1-2,7-8H,3-6H2/t7-,8+/m0/s1
InChIKeyNKFQJOSEAWLQNL-JGVFFNPUSA-N
XLogP2.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4S)-bicyclo[2.2.1]hept-5-en-2-one
CID 139246523
bicyclo[2.2.1]hept-5-en-2-one;ethene
CID 67271465
3-(2-bicyclo[2.2.1]hept-5-enylidene)bicyclo[2.2.1]heptan-2-one
CID 117070196
tricyclo[10.2.1.02,11]pentadeca-2(11),13-dien-3-one
CID 15372414
(1S,5S)-bicyclo[3.2.1]oct-6-en-3-one
CID 7057322
5-hydroxy-2,3,4,5-tetrahydroinden-1-one
CID 141380429
5-(bromomethylidene)bicyclo[2.2.1]hept-2-ene
CID 165356255
(1S,3R,5R)-3-methylbicyclo[3.2.1]oct-6-en-2-one
CID 101347395
tricyclo[6.2.1.02,7]undec-2(7)-ene-3,6-dione
CID 13070254
5-ethylidenebicyclo[2.2.1]hept-2-ene;formic acid
CID 70426120
tricyclo[6.2.1.02,6]undeca-2,5,9-triene
CID 14738573
1-[(Z)-[(1R,4S)-2-bicyclo[2.2.1]hept-5-enylidene]methyl]piperidine
CID 124659798

Frequently Asked Questions

What is the IUPAC name of (1S,8S)-tricyclo[6.2.1.02,6]undeca-2(6),9-dien-3-one?
The IUPAC name of (1S,8S)-tricyclo[6.2.1.02,6]undeca-2(6),9-dien-3-one (CID 131041323) is (1S,8S)-tricyclo[6.2.1.02,6]undeca-2(6),9-dien-3-one.
What is the SMILES notation for (1S,8S)-tricyclo[6.2.1.02,6]undeca-2(6),9-dien-3-one?
The canonical SMILES for (1S,8S)-tricyclo[6.2.1.02,6]undeca-2(6),9-dien-3-one is O=C1CCC2=C1[C@@H]1C=C[C@H](C2)C1.
What is the InChIKey of (1S,8S)-tricyclo[6.2.1.02,6]undeca-2(6),9-dien-3-one?
The InChIKey is NKFQJOSEAWLQNL-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H12O/c12-10-4-3-9-6-7-1-2-8(5-7)11(9)10/h1-2,7-8H,3-6H2/t7-,8+/m0/s1.
What are the key properties of (1S,8S)-tricyclo[6.2.1.02,6]undeca-2(6),9-dien-3-one?
(1S,8S)-tricyclo[6.2.1.02,6]undeca-2(6),9-dien-3-one has a molecular weight of 160.22 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8S)-tricyclo[6.2.1.02,6]undeca-2(6),9-dien-3-one is sourced from PubChem (CID 131041323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).