3-(2-ethylbutanoyl)cyclopentan-1-one

C11H18O2 — CID 79639128

IUPAC3-(2-ethylbutanoyl)cyclopentan-1-one
SMILESCCC(CC)C(=O)C1CCC(=O)C1
InChIInChI=1S/C11H18O2/c1-3-8(4-2)11(13)9-5-6-10(12)7-9/h8-9H,3-7H2,1-2H3
InChIKeySOPNNCHNSRLMRW-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.36
Rot. Bonds4

About 3-(2-ethylbutanoyl)cyclopentan-1-one

3-(2-ethylbutanoyl)cyclopentan-1-one (PubChem CID 79639128) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3-(2-ethylbutanoyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(2-ethylbutanoyl)cyclopentan-1-one
PubChem CID79639128
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3-(2-ethylbutanoyl)cyclopentan-1-one
SMILESCCC(CC)C(=O)C1CCC(=O)C1
InChIInChI=1S/C11H18O2/c1-3-8(4-2)11(13)9-5-6-10(12)7-9/h8-9H,3-7H2,1-2H3
InChIKeySOPNNCHNSRLMRW-UHFFFAOYSA-N
XLogP2.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutanoyl)cyclopentan-1-one?
The IUPAC name of 3-(2-ethylbutanoyl)cyclopentan-1-one (CID 79639128) is 3-(2-ethylbutanoyl)cyclopentan-1-one.
What is the SMILES notation for 3-(2-ethylbutanoyl)cyclopentan-1-one?
The canonical SMILES for 3-(2-ethylbutanoyl)cyclopentan-1-one is CCC(CC)C(=O)C1CCC(=O)C1.
What is the InChIKey of 3-(2-ethylbutanoyl)cyclopentan-1-one?
The InChIKey is SOPNNCHNSRLMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-8(4-2)11(13)9-5-6-10(12)7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-(2-ethylbutanoyl)cyclopentan-1-one?
3-(2-ethylbutanoyl)cyclopentan-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutanoyl)cyclopentan-1-one is sourced from PubChem (CID 79639128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).