2-(2-methylpropanoyl)cyclopentene-1-carboxylic acid

C10H14O3 — CID 23588087

IUPAC2-(2-methylpropanoyl)cyclopentene-1-carboxylic acid
SMILESCC(C)C(=O)C1=C(C(=O)O)CCC1
InChIInChI=1S/C10H14O3/c1-6(2)9(11)7-4-3-5-8(7)10(12)13/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyMRJGAJLHERZUQE-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.78
Rot. Bonds3

About 2-(2-methylpropanoyl)cyclopentene-1-carboxylic acid

2-(2-methylpropanoyl)cyclopentene-1-carboxylic acid (PubChem CID 23588087) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(2-methylpropanoyl)cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpropanoyl)cyclopentene-1-carboxylic acid
PubChem CID23588087
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-(2-methylpropanoyl)cyclopentene-1-carboxylic acid
SMILESCC(C)C(=O)C1=C(C(=O)O)CCC1
InChIInChI=1S/C10H14O3/c1-6(2)9(11)7-4-3-5-8(7)10(12)13/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyMRJGAJLHERZUQE-UHFFFAOYSA-N
XLogP1.78
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropanoyl)cyclopentene-1-carboxylic acid?
The IUPAC name of 2-(2-methylpropanoyl)cyclopentene-1-carboxylic acid (CID 23588087) is 2-(2-methylpropanoyl)cyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-(2-methylpropanoyl)cyclopentene-1-carboxylic acid?
The canonical SMILES for 2-(2-methylpropanoyl)cyclopentene-1-carboxylic acid is CC(C)C(=O)C1=C(C(=O)O)CCC1.
What is the InChIKey of 2-(2-methylpropanoyl)cyclopentene-1-carboxylic acid?
The InChIKey is MRJGAJLHERZUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-6(2)9(11)7-4-3-5-8(7)10(12)13/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-methylpropanoyl)cyclopentene-1-carboxylic acid?
2-(2-methylpropanoyl)cyclopentene-1-carboxylic acid has a molecular weight of 182.22 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropanoyl)cyclopentene-1-carboxylic acid is sourced from PubChem (CID 23588087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).