4-propyltricyclo[5.2.1.02,6]dec-4-en-3-one

C13H18O — CID 102024121

IUPAC4-propyltricyclo[5.2.1.02,6]dec-4-en-3-one
SMILESCCCC1=CC2C3CCC(C3)C2C1=O
InChIInChI=1S/C13H18O/c1-2-3-10-7-11-8-4-5-9(6-8)12(11)13(10)14/h7-9,11-12H,2-6H2,1H3
InChIKeyGFNFDEDLOKBKAY-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.96
Rot. Bonds2

About 4-propyltricyclo[5.2.1.02,6]dec-4-en-3-one

4-propyltricyclo[5.2.1.02,6]dec-4-en-3-one (PubChem CID 102024121) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-propyltricyclo[5.2.1.02,6]dec-4-en-3-one.

Molecular Properties

Compound Name4-propyltricyclo[5.2.1.02,6]dec-4-en-3-one
PubChem CID102024121
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name4-propyltricyclo[5.2.1.02,6]dec-4-en-3-one
SMILESCCCC1=CC2C3CCC(C3)C2C1=O
InChIInChI=1S/C13H18O/c1-2-3-10-7-11-8-4-5-9(6-8)12(11)13(10)14/h7-9,11-12H,2-6H2,1H3
InChIKeyGFNFDEDLOKBKAY-UHFFFAOYSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propyltricyclo[5.2.1.02,6]dec-4-en-3-one?
The IUPAC name of 4-propyltricyclo[5.2.1.02,6]dec-4-en-3-one (CID 102024121) is 4-propyltricyclo[5.2.1.02,6]dec-4-en-3-one.
What is the SMILES notation for 4-propyltricyclo[5.2.1.02,6]dec-4-en-3-one?
The canonical SMILES for 4-propyltricyclo[5.2.1.02,6]dec-4-en-3-one is CCCC1=CC2C3CCC(C3)C2C1=O.
What is the InChIKey of 4-propyltricyclo[5.2.1.02,6]dec-4-en-3-one?
The InChIKey is GFNFDEDLOKBKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-2-3-10-7-11-8-4-5-9(6-8)12(11)13(10)14/h7-9,11-12H,2-6H2,1H3.
What are the key properties of 4-propyltricyclo[5.2.1.02,6]dec-4-en-3-one?
4-propyltricyclo[5.2.1.02,6]dec-4-en-3-one has a molecular weight of 190.29 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyltricyclo[5.2.1.02,6]dec-4-en-3-one is sourced from PubChem (CID 102024121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).