4-ethyl-1H-pyrrole-2-carboxylic acid

C7H9NO2 — CID 84648388

IUPAC4-ethyl-1H-pyrrole-2-carboxylic acid
SMILESCCc1c[nH]c(C(=O)O)c1
InChIInChI=1S/C7H9NO2/c1-2-5-3-6(7(9)10)8-4-5/h3-4,8H,2H2,1H3,(H,9,10)
InChIKeyRPYGJTNQRMZPBM-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.28
Rot. Bonds2

About 4-ethyl-1H-pyrrole-2-carboxylic acid

4-ethyl-1H-pyrrole-2-carboxylic acid (PubChem CID 84648388) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 4-ethyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1H-pyrrole-2-carboxylic acid
PubChem CID84648388
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name4-ethyl-1H-pyrrole-2-carboxylic acid
SMILESCCc1c[nH]c(C(=O)O)c1
InChIInChI=1S/C7H9NO2/c1-2-5-3-6(7(9)10)8-4-5/h3-4,8H,2H2,1H3,(H,9,10)
InChIKeyRPYGJTNQRMZPBM-UHFFFAOYSA-N
XLogP1.28
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-ethyl-1H-pyrrole-2-carboxylic acid (CID 84648388) is 4-ethyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1H-pyrrole-2-carboxylic acid is CCc1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-ethyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is RPYGJTNQRMZPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-2-5-3-6(7(9)10)8-4-5/h3-4,8H,2H2,1H3,(H,9,10).
What are the key properties of 4-ethyl-1H-pyrrole-2-carboxylic acid?
4-ethyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 139.15 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 84648388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).