(1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-one

C10H10O — CID 102033791

IUPAC(1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
SMILESO=C1C=CC2C1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C10H10O/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h1-4,6-8,10H,5H2/t6-,7+,8?,10?/m1/s1
InChIKeyUSCIQHADNYEBHX-CCSIGSMKSA-N
MW146.19 g/mol
LogP1.56
Rot. Bonds

About (1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-one

(1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-one (PubChem CID 102033791) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is (1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-one.

Molecular Properties

Compound Name(1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
PubChem CID102033791
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name(1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
SMILESO=C1C=CC2C1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C10H10O/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h1-4,6-8,10H,5H2/t6-,7+,8?,10?/m1/s1
InChIKeyUSCIQHADNYEBHX-CCSIGSMKSA-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

1,4-Methanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-
CID 79150
4,7-Methano-1H-inden-1-one, 2,3,3a,4,7,7a-hexahydro-
CID 261675
(-)-Acorenone
CID 12480741
Npc246622
CID 573024
3a,4,7,7a-Tetrahydro-1H-4,7-methanoindene-1,8-dione
CID 420297
Dicyclopentadiene ketone
CID 95184
Acorenone B
CID 21674978
Methyl (8,9,10-trinorborn-5-en-2-yl) ketone
CID 107366
4-Methyltricyclo[6.2.1.0^{2,7}]undeca-4,9-diene-3,6-dione
CID 548815
endo-3a,4,7,7a-Tetrahydro-4,7-methanoinden-1-one
CID 138530
(1S,4S,5R)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-en-8-one
CID 101415359
Bicyclo[3.2.1]oct-3-en-2-one
CID 376751

Frequently Asked Questions

What is the IUPAC name of (1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
The IUPAC name of (1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-one (CID 102033791) is (1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-one.
What is the SMILES notation for (1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
The canonical SMILES for (1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-one is O=C1C=CC2C1[C@H]1C=C[C@@H]2C1.
What is the InChIKey of (1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
The InChIKey is USCIQHADNYEBHX-CCSIGSMKSA-N. The full InChI is InChI=1S/C10H10O/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h1-4,6-8,10H,5H2/t6-,7+,8?,10?/m1/s1.
What are the key properties of (1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
(1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-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 (1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-one is sourced from PubChem (CID 102033791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).