(2-oxocyclopentyl) 2-methylpropanoate

C9H14O3 — CID 118886288

IUPAC(2-oxocyclopentyl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1CCCC1=O
InChIInChI=1S/C9H14O3/c1-6(2)9(11)12-8-5-3-4-7(8)10/h6,8H,3-5H2,1-2H3
InChIKeyJNRLTJAQQUPZNI-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.31
Rot. Bonds2

About (2-oxocyclopentyl) 2-methylpropanoate

(2-oxocyclopentyl) 2-methylpropanoate (PubChem CID 118886288) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (2-oxocyclopentyl) 2-methylpropanoate.

Molecular Properties

Compound Name(2-oxocyclopentyl) 2-methylpropanoate
PubChem CID118886288
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(2-oxocyclopentyl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1CCCC1=O
InChIInChI=1S/C9H14O3/c1-6(2)9(11)12-8-5-3-4-7(8)10/h6,8H,3-5H2,1-2H3
InChIKeyJNRLTJAQQUPZNI-UHFFFAOYSA-N
XLogP1.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-oxocyclopentyl) 2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-oxocyclopentyl) 2-methylpropanoate?
The IUPAC name of (2-oxocyclopentyl) 2-methylpropanoate (CID 118886288) is (2-oxocyclopentyl) 2-methylpropanoate.
What is the SMILES notation for (2-oxocyclopentyl) 2-methylpropanoate?
The canonical SMILES for (2-oxocyclopentyl) 2-methylpropanoate is CC(C)C(=O)OC1CCCC1=O.
What is the InChIKey of (2-oxocyclopentyl) 2-methylpropanoate?
The InChIKey is JNRLTJAQQUPZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-6(2)9(11)12-8-5-3-4-7(8)10/h6,8H,3-5H2,1-2H3.
What are the key properties of (2-oxocyclopentyl) 2-methylpropanoate?
(2-oxocyclopentyl) 2-methylpropanoate has a molecular weight of 170.21 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxocyclopentyl) 2-methylpropanoate is sourced from PubChem (CID 118886288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).