3-ethyl-2-(3-oxopentyl)cyclopent-2-en-1-one

C12H18O2 — CID 134963811

IUPAC3-ethyl-2-(3-oxopentyl)cyclopent-2-en-1-one
SMILESCCC(=O)CCC1=C(CC)CCC1=O
InChIInChI=1S/C12H18O2/c1-3-9-5-8-12(14)11(9)7-6-10(13)4-2/h3-8H2,1-2H3
InChIKeyGFCDRKWUFFXSLC-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.82
Rot. Bonds5

About 3-ethyl-2-(3-oxopentyl)cyclopent-2-en-1-one

3-ethyl-2-(3-oxopentyl)cyclopent-2-en-1-one (PubChem CID 134963811) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-ethyl-2-(3-oxopentyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-ethyl-2-(3-oxopentyl)cyclopent-2-en-1-one
PubChem CID134963811
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-ethyl-2-(3-oxopentyl)cyclopent-2-en-1-one
SMILESCCC(=O)CCC1=C(CC)CCC1=O
InChIInChI=1S/C12H18O2/c1-3-9-5-8-12(14)11(9)7-6-10(13)4-2/h3-8H2,1-2H3
InChIKeyGFCDRKWUFFXSLC-UHFFFAOYSA-N
XLogP2.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(3-oxopentyl)cyclopent-2-en-1-one?
The IUPAC name of 3-ethyl-2-(3-oxopentyl)cyclopent-2-en-1-one (CID 134963811) is 3-ethyl-2-(3-oxopentyl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-ethyl-2-(3-oxopentyl)cyclopent-2-en-1-one?
The canonical SMILES for 3-ethyl-2-(3-oxopentyl)cyclopent-2-en-1-one is CCC(=O)CCC1=C(CC)CCC1=O.
What is the InChIKey of 3-ethyl-2-(3-oxopentyl)cyclopent-2-en-1-one?
The InChIKey is GFCDRKWUFFXSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-9-5-8-12(14)11(9)7-6-10(13)4-2/h3-8H2,1-2H3.
What are the key properties of 3-ethyl-2-(3-oxopentyl)cyclopent-2-en-1-one?
3-ethyl-2-(3-oxopentyl)cyclopent-2-en-1-one has a molecular weight of 194.27 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(3-oxopentyl)cyclopent-2-en-1-one is sourced from PubChem (CID 134963811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).