3-ethyl-4-methyl-2-(5-methylfuran-2-yl)cyclopentan-1-one

C13H18O2 — CID 139527330

IUPAC3-ethyl-4-methyl-2-(5-methylfuran-2-yl)cyclopentan-1-one
SMILESCCC1C(C)CC(=O)C1c1ccc(C)o1
InChIInChI=1S/C13H18O2/c1-4-10-8(2)7-11(14)13(10)12-6-5-9(3)15-12/h5-6,8,10,13H,4,7H2,1-3H3
InChIKeyRZXAVZRYRZVHEG-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.31
Rot. Bonds2

About 3-ethyl-4-methyl-2-(5-methylfuran-2-yl)cyclopentan-1-one

3-ethyl-4-methyl-2-(5-methylfuran-2-yl)cyclopentan-1-one (PubChem CID 139527330) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3-ethyl-4-methyl-2-(5-methylfuran-2-yl)cyclopentan-1-one.

Molecular Properties

Compound Name3-ethyl-4-methyl-2-(5-methylfuran-2-yl)cyclopentan-1-one
PubChem CID139527330
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name3-ethyl-4-methyl-2-(5-methylfuran-2-yl)cyclopentan-1-one
SMILESCCC1C(C)CC(=O)C1c1ccc(C)o1
InChIInChI=1S/C13H18O2/c1-4-10-8(2)7-11(14)13(10)12-6-5-9(3)15-12/h5-6,8,10,13H,4,7H2,1-3H3
InChIKeyRZXAVZRYRZVHEG-UHFFFAOYSA-N
XLogP3.31
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-2-(5-methylfuran-2-yl)cyclopentan-1-one?
The IUPAC name of 3-ethyl-4-methyl-2-(5-methylfuran-2-yl)cyclopentan-1-one (CID 139527330) is 3-ethyl-4-methyl-2-(5-methylfuran-2-yl)cyclopentan-1-one.
What is the SMILES notation for 3-ethyl-4-methyl-2-(5-methylfuran-2-yl)cyclopentan-1-one?
The canonical SMILES for 3-ethyl-4-methyl-2-(5-methylfuran-2-yl)cyclopentan-1-one is CCC1C(C)CC(=O)C1c1ccc(C)o1.
What is the InChIKey of 3-ethyl-4-methyl-2-(5-methylfuran-2-yl)cyclopentan-1-one?
The InChIKey is RZXAVZRYRZVHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-10-8(2)7-11(14)13(10)12-6-5-9(3)15-12/h5-6,8,10,13H,4,7H2,1-3H3.
What are the key properties of 3-ethyl-4-methyl-2-(5-methylfuran-2-yl)cyclopentan-1-one?
3-ethyl-4-methyl-2-(5-methylfuran-2-yl)cyclopentan-1-one has a molecular weight of 206.28 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-2-(5-methylfuran-2-yl)cyclopentan-1-one is sourced from PubChem (CID 139527330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).