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

C8H11NO2 — CID 15357245

IUPAC3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid
SMILESCCc1c(C)c[nH]c1C(=O)O
InChIInChI=1S/C8H11NO2/c1-3-6-5(2)4-9-7(6)8(10)11/h4,9H,3H2,1-2H3,(H,10,11)
InChIKeyOCHGJDLFOOULGG-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.58
Rot. Bonds2

About 3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid

3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid (PubChem CID 15357245) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid
PubChem CID15357245
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid
SMILESCCc1c(C)c[nH]c1C(=O)O
InChIInChI=1S/C8H11NO2/c1-3-6-5(2)4-9-7(6)8(10)11/h4,9H,3H2,1-2H3,(H,10,11)
InChIKeyOCHGJDLFOOULGG-UHFFFAOYSA-N
XLogP1.58
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid (CID 15357245) is 3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid is CCc1c(C)c[nH]c1C(=O)O.
What is the InChIKey of 3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is OCHGJDLFOOULGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-6-5(2)4-9-7(6)8(10)11/h4,9H,3H2,1-2H3,(H,10,11).
What are the key properties of 3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid?
3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 153.18 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 15357245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).