(1S,7S)-tricyclo[5.2.1.02,6]deca-3,8-dien-10-one

C10H10O — CID 102033792

IUPAC(1S,7S)-tricyclo[5.2.1.02,6]deca-3,8-dien-10-one
SMILESO=C1[C@H]2C=C[C@H]1C1CC=CC12
InChIInChI=1S/C10H10O/c11-10-8-4-5-9(10)7-3-1-2-6(7)8/h1-2,4-9H,3H2/t6?,7?,8-,9-/m0/s1
InChIKeyMCMMLGNEUXFJPF-PEBLOWIWSA-N
MW146.19 g/mol
LogP1.56
Rot. Bonds

About (1S,7S)-tricyclo[5.2.1.02,6]deca-3,8-dien-10-one

(1S,7S)-tricyclo[5.2.1.02,6]deca-3,8-dien-10-one (PubChem CID 102033792) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is (1S,7S)-tricyclo[5.2.1.02,6]deca-3,8-dien-10-one.

Molecular Properties

Compound Name(1S,7S)-tricyclo[5.2.1.02,6]deca-3,8-dien-10-one
PubChem CID102033792
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name(1S,7S)-tricyclo[5.2.1.02,6]deca-3,8-dien-10-one
SMILESO=C1[C@H]2C=C[C@H]1C1CC=CC12
InChIInChI=1S/C10H10O/c11-10-8-4-5-9(10)7-3-1-2-6(7)8/h1-2,4-9H,3H2/t6?,7?,8-,9-/m0/s1
InChIKeyMCMMLGNEUXFJPF-PEBLOWIWSA-N
XLogP1.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.56
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

(1R,2S,6S,7S)-tricyclo[5.2.2.02,6]undeca-4,10-dien-8-one
CID 11389554
(1S,2R,6S,7S)-tricyclo[5.3.2.02,6]dodeca-3,9,11-trien-8-one
CID 130754405
bicyclo[2.1.0]pent-2-en-5-one
CID 71441751
9,9,10-trimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one
CID 75168772
(1S,2R,4R,6R)-3-oxatricyclo[4.3.0.02,4]non-7-en-5-one
CID 25138563
(1S,4aS,4bS,8S,8aS,9aS)-1,8-dimethyl-1,4,4a,4b,5,8,8a,9a-octahydrofluoren-9-one
CID 10910958
tricyclo[5.3.0.02,6]dec-8-en-3-one
CID 130038201
(1R,5S,7S)-7-chlorobicyclo[3.2.0]hept-2-en-6-one
CID 12951165
(7R)-7-methylbicyclo[3.2.0]hept-2-en-6-one
CID 142417985
(1S,2S,6R,7R)-tricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione
CID 15130687
(1S,2R,6S,7S)-tricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione
CID 98644929
(5S)-bicyclo[3.1.0]hex-2-ene-6-carboxylic acid
CID 138580530

Frequently Asked Questions

What is the IUPAC name of (1S,7S)-tricyclo[5.2.1.02,6]deca-3,8-dien-10-one?
The IUPAC name of (1S,7S)-tricyclo[5.2.1.02,6]deca-3,8-dien-10-one (CID 102033792) is (1S,7S)-tricyclo[5.2.1.02,6]deca-3,8-dien-10-one.
What is the SMILES notation for (1S,7S)-tricyclo[5.2.1.02,6]deca-3,8-dien-10-one?
The canonical SMILES for (1S,7S)-tricyclo[5.2.1.02,6]deca-3,8-dien-10-one is O=C1[C@H]2C=C[C@H]1C1CC=CC12.
What is the InChIKey of (1S,7S)-tricyclo[5.2.1.02,6]deca-3,8-dien-10-one?
The InChIKey is MCMMLGNEUXFJPF-PEBLOWIWSA-N. The full InChI is InChI=1S/C10H10O/c11-10-8-4-5-9(10)7-3-1-2-6(7)8/h1-2,4-9H,3H2/t6?,7?,8-,9-/m0/s1.
What are the key properties of (1S,7S)-tricyclo[5.2.1.02,6]deca-3,8-dien-10-one?
(1S,7S)-tricyclo[5.2.1.02,6]deca-3,8-dien-10-one has a molecular weight of 146.19 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7S)-tricyclo[5.2.1.02,6]deca-3,8-dien-10-one is sourced from PubChem (CID 102033792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).