tricyclo[10.2.1.02,11]pentadeca-2(11),13-dien-3-one

C15H20O — CID 15372414

IUPACtricyclo[10.2.1.02,11]pentadeca-2(11),13-dien-3-one
SMILESO=C1CCCCCCCC2=C1C1C=CC2C1
InChIInChI=1S/C15H20O/c16-14-7-5-3-1-2-4-6-13-11-8-9-12(10-11)15(13)14/h8-9,11-12H,1-7,10H2
InChIKeyBXGBZRSVSWKXFF-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.80
Rot. Bonds

About tricyclo[10.2.1.02,11]pentadeca-2(11),13-dien-3-one

tricyclo[10.2.1.02,11]pentadeca-2(11),13-dien-3-one (PubChem CID 15372414) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is tricyclo[10.2.1.02,11]pentadeca-2(11),13-dien-3-one.

Molecular Properties

Compound Nametricyclo[10.2.1.02,11]pentadeca-2(11),13-dien-3-one
PubChem CID15372414
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Nametricyclo[10.2.1.02,11]pentadeca-2(11),13-dien-3-one
SMILESO=C1CCCCCCCC2=C1C1C=CC2C1
InChIInChI=1S/C15H20O/c16-14-7-5-3-1-2-4-6-13-11-8-9-12(10-11)15(13)14/h8-9,11-12H,1-7,10H2
InChIKeyBXGBZRSVSWKXFF-UHFFFAOYSA-N
XLogP3.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tricyclo[10.2.1.02,11]pentadeca-2(11),13-dien-3-one?
The IUPAC name of tricyclo[10.2.1.02,11]pentadeca-2(11),13-dien-3-one (CID 15372414) is tricyclo[10.2.1.02,11]pentadeca-2(11),13-dien-3-one.
What is the SMILES notation for tricyclo[10.2.1.02,11]pentadeca-2(11),13-dien-3-one?
The canonical SMILES for tricyclo[10.2.1.02,11]pentadeca-2(11),13-dien-3-one is O=C1CCCCCCCC2=C1C1C=CC2C1.
What is the InChIKey of tricyclo[10.2.1.02,11]pentadeca-2(11),13-dien-3-one?
The InChIKey is BXGBZRSVSWKXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c16-14-7-5-3-1-2-4-6-13-11-8-9-12(10-11)15(13)14/h8-9,11-12H,1-7,10H2.
What are the key properties of tricyclo[10.2.1.02,11]pentadeca-2(11),13-dien-3-one?
tricyclo[10.2.1.02,11]pentadeca-2(11),13-dien-3-one has a molecular weight of 216.32 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[10.2.1.02,11]pentadeca-2(11),13-dien-3-one is sourced from PubChem (CID 15372414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).