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

C11H16O2 — CID 11084480

IUPAC3-methyl-2-(3-oxopentyl)cyclopent-2-en-1-one
SMILESCCC(=O)CCC1=C(C)CCC1=O
InChIInChI=1S/C11H16O2/c1-3-9(12)5-6-10-8(2)4-7-11(10)13/h3-7H2,1-2H3
InChIKeyMKUTWHMXBHIVAV-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.43
Rot. Bonds4

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

3-methyl-2-(3-oxopentyl)cyclopent-2-en-1-one (PubChem CID 11084480) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-methyl-2-(3-oxopentyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-methyl-2-(3-oxopentyl)cyclopent-2-en-1-one
PubChem CID11084480
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3-methyl-2-(3-oxopentyl)cyclopent-2-en-1-one
SMILESCCC(=O)CCC1=C(C)CCC1=O
InChIInChI=1S/C11H16O2/c1-3-9(12)5-6-10-8(2)4-7-11(10)13/h3-7H2,1-2H3
InChIKeyMKUTWHMXBHIVAV-UHFFFAOYSA-N
XLogP2.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-oxopentyl)cyclopent-2-en-1-one?
The IUPAC name of 3-methyl-2-(3-oxopentyl)cyclopent-2-en-1-one (CID 11084480) is 3-methyl-2-(3-oxopentyl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-methyl-2-(3-oxopentyl)cyclopent-2-en-1-one?
The canonical SMILES for 3-methyl-2-(3-oxopentyl)cyclopent-2-en-1-one is CCC(=O)CCC1=C(C)CCC1=O.
What is the InChIKey of 3-methyl-2-(3-oxopentyl)cyclopent-2-en-1-one?
The InChIKey is MKUTWHMXBHIVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-9(12)5-6-10-8(2)4-7-11(10)13/h3-7H2,1-2H3.
What are the key properties of 3-methyl-2-(3-oxopentyl)cyclopent-2-en-1-one?
3-methyl-2-(3-oxopentyl)cyclopent-2-en-1-one has a molecular weight of 180.25 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-oxopentyl)cyclopent-2-en-1-one is sourced from PubChem (CID 11084480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).