5-cyclopentyl-2-methyl-1H-pyrrole-3-carboxylic acid

C11H15NO2 — CID 82402063

IUPAC5-cyclopentyl-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]c(C2CCCC2)cc1C(=O)O
InChIInChI=1S/C11H15NO2/c1-7-9(11(13)14)6-10(12-7)8-4-2-3-5-8/h6,8,12H,2-5H2,1H3,(H,13,14)
InChIKeyJOBIBVHSXVYBQP-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.68
Rot. Bonds2

About 5-cyclopentyl-2-methyl-1H-pyrrole-3-carboxylic acid

5-cyclopentyl-2-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 82402063) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-cyclopentyl-2-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopentyl-2-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID82402063
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name5-cyclopentyl-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]c(C2CCCC2)cc1C(=O)O
InChIInChI=1S/C11H15NO2/c1-7-9(11(13)14)6-10(12-7)8-4-2-3-5-8/h6,8,12H,2-5H2,1H3,(H,13,14)
InChIKeyJOBIBVHSXVYBQP-UHFFFAOYSA-N
XLogP2.68
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 5-cyclopentyl-2-methyl-1H-pyrrole-3-carboxylic acid (CID 82402063) is 5-cyclopentyl-2-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 5-cyclopentyl-2-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 5-cyclopentyl-2-methyl-1H-pyrrole-3-carboxylic acid is Cc1[nH]c(C2CCCC2)cc1C(=O)O.
What is the InChIKey of 5-cyclopentyl-2-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is JOBIBVHSXVYBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-9(11(13)14)6-10(12-7)8-4-2-3-5-8/h6,8,12H,2-5H2,1H3,(H,13,14).
What are the key properties of 5-cyclopentyl-2-methyl-1H-pyrrole-3-carboxylic acid?
5-cyclopentyl-2-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 193.25 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82402063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).