tricyclo[5.2.1.02,6]deca-2(6),4,8-trien-3-one

C10H8O — CID 86169630

IUPACtricyclo[5.2.1.02,6]deca-2(6),4,8-trien-3-one
SMILESO=C1C=CC2=C1C1C=CC2C1
InChIInChI=1S/C10H8O/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h1-4,6-7H,5H2
InChIKeyHCJMQUMTPKOHMX-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.63
Rot. Bonds

About tricyclo[5.2.1.02,6]deca-2(6),4,8-trien-3-one

tricyclo[5.2.1.02,6]deca-2(6),4,8-trien-3-one (PubChem CID 86169630) has the molecular formula C10H8O and a molecular weight of 144.17 g/mol. Its IUPAC name is tricyclo[5.2.1.02,6]deca-2(6),4,8-trien-3-one.

Molecular Properties

Compound Nametricyclo[5.2.1.02,6]deca-2(6),4,8-trien-3-one
PubChem CID86169630
Molecular FormulaC10H8O
Molecular Weight144.17 g/mol
Exact Mass144.06
IUPAC Nametricyclo[5.2.1.02,6]deca-2(6),4,8-trien-3-one
SMILESO=C1C=CC2=C1C1C=CC2C1
InChIInChI=1S/C10H8O/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h1-4,6-7H,5H2
InChIKeyHCJMQUMTPKOHMX-UHFFFAOYSA-N
XLogP1.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.63
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

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endo-3a,4,7,7a-Tetrahydro-4,7-methanoinden-1-one
CID 138530
(+)-I2-Turmerone
CID 9815837
Npc160122
CID 558173
(4Z,6S,9S,9aR)-3,5,6,9-tetramethyl-1,6,7,8,9,9a-hexahydrocyclopenta[8]annulen-2-one
CID 15475315
4,4a,5,6-Tetrahydro-2(3H)-naphthalenone
CID 277448
Npc49536
CID 578893
2-Cyclopenten-1-one, 2-cyclopentyl-
CID 89673
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CID 14148769

Frequently Asked Questions

What is the IUPAC name of tricyclo[5.2.1.02,6]deca-2(6),4,8-trien-3-one?
The IUPAC name of tricyclo[5.2.1.02,6]deca-2(6),4,8-trien-3-one (CID 86169630) is tricyclo[5.2.1.02,6]deca-2(6),4,8-trien-3-one.
What is the SMILES notation for tricyclo[5.2.1.02,6]deca-2(6),4,8-trien-3-one?
The canonical SMILES for tricyclo[5.2.1.02,6]deca-2(6),4,8-trien-3-one is O=C1C=CC2=C1C1C=CC2C1.
What is the InChIKey of tricyclo[5.2.1.02,6]deca-2(6),4,8-trien-3-one?
The InChIKey is HCJMQUMTPKOHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h1-4,6-7H,5H2.
What are the key properties of tricyclo[5.2.1.02,6]deca-2(6),4,8-trien-3-one?
tricyclo[5.2.1.02,6]deca-2(6),4,8-trien-3-one has a molecular weight of 144.17 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.2.1.02,6]deca-2(6),4,8-trien-3-one is sourced from PubChem (CID 86169630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).