1-ethylpyrrole-2-carboxylic acid

C7H9NO2 — CID 15442598

IUPAC1-ethylpyrrole-2-carboxylic acid
SMILESCCn1cccc1C(=O)O
InChIInChI=1S/C7H9NO2/c1-2-8-5-3-4-6(8)7(9)10/h3-5H,2H2,1H3,(H,9,10)
InChIKeyXCOJUFQICAEQEP-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.21
Rot. Bonds2

About 1-ethylpyrrole-2-carboxylic acid

1-ethylpyrrole-2-carboxylic acid (PubChem CID 15442598) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 1-ethylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-ethylpyrrole-2-carboxylic acid
PubChem CID15442598
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name1-ethylpyrrole-2-carboxylic acid
SMILESCCn1cccc1C(=O)O
InChIInChI=1S/C7H9NO2/c1-2-8-5-3-4-6(8)7(9)10/h3-5H,2H2,1H3,(H,9,10)
InChIKeyXCOJUFQICAEQEP-UHFFFAOYSA-N
XLogP1.21
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-ethylpyrrole-2-carboxylic acid 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 1-ethylpyrrole-2-carboxylic acid?
The IUPAC name of 1-ethylpyrrole-2-carboxylic acid (CID 15442598) is 1-ethylpyrrole-2-carboxylic acid.
What is the SMILES notation for 1-ethylpyrrole-2-carboxylic acid?
The canonical SMILES for 1-ethylpyrrole-2-carboxylic acid is CCn1cccc1C(=O)O.
What is the InChIKey of 1-ethylpyrrole-2-carboxylic acid?
The InChIKey is XCOJUFQICAEQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-2-8-5-3-4-6(8)7(9)10/h3-5H,2H2,1H3,(H,9,10).
What are the key properties of 1-ethylpyrrole-2-carboxylic acid?
1-ethylpyrrole-2-carboxylic acid has a molecular weight of 139.15 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrrole-2-carboxylic acid is sourced from PubChem (CID 15442598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).