1-(2-methyl-5-prop-1-en-2-ylcyclopentyl)ethanone

C11H18O — CID 579169

IUPAC1-(2-methyl-5-prop-1-en-2-ylcyclopentyl)ethanone
SMILESC=C(C)C1CCC(C)C1C(C)=O
InChIInChI=1S/C11H18O/c1-7(2)10-6-5-8(3)11(10)9(4)12/h8,10-11H,1,5-6H2,2-4H3
InChIKeyAXWIGZGFYQKXLU-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.81
Rot. Bonds2

About 1-(2-methyl-5-prop-1-en-2-ylcyclopentyl)ethanone

1-(2-methyl-5-prop-1-en-2-ylcyclopentyl)ethanone (PubChem CID 579169) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 1-(2-methyl-5-prop-1-en-2-ylcyclopentyl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-5-prop-1-en-2-ylcyclopentyl)ethanone
PubChem CID579169
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name1-(2-methyl-5-prop-1-en-2-ylcyclopentyl)ethanone
SMILESC=C(C)C1CCC(C)C1C(C)=O
InChIInChI=1S/C11H18O/c1-7(2)10-6-5-8(3)11(10)9(4)12/h8,10-11H,1,5-6H2,2-4H3
InChIKeyAXWIGZGFYQKXLU-UHFFFAOYSA-N
XLogP2.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.81
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 1-(2-methyl-5-prop-1-en-2-ylcyclopentyl)ethanone?
The IUPAC name of 1-(2-methyl-5-prop-1-en-2-ylcyclopentyl)ethanone (CID 579169) is 1-(2-methyl-5-prop-1-en-2-ylcyclopentyl)ethanone.
What is the SMILES notation for 1-(2-methyl-5-prop-1-en-2-ylcyclopentyl)ethanone?
The canonical SMILES for 1-(2-methyl-5-prop-1-en-2-ylcyclopentyl)ethanone is C=C(C)C1CCC(C)C1C(C)=O.
What is the InChIKey of 1-(2-methyl-5-prop-1-en-2-ylcyclopentyl)ethanone?
The InChIKey is AXWIGZGFYQKXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-7(2)10-6-5-8(3)11(10)9(4)12/h8,10-11H,1,5-6H2,2-4H3.
What are the key properties of 1-(2-methyl-5-prop-1-en-2-ylcyclopentyl)ethanone?
1-(2-methyl-5-prop-1-en-2-ylcyclopentyl)ethanone has a molecular weight of 166.26 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-prop-1-en-2-ylcyclopentyl)ethanone is sourced from PubChem (CID 579169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).