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

C6H7NO2 — CID 14643173

IUPAC4-methyl-1H-pyrrole-2-carboxylic acid
SMILESCc1c[nH]c(C(=O)O)c1
InChIInChI=1S/C6H7NO2/c1-4-2-5(6(8)9)7-3-4/h2-3,7H,1H3,(H,8,9)
InChIKeyYXYAHRAFINYJPL-UHFFFAOYSA-N
MW125.13 g/mol
LogP1.02
Rot. Bonds1

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

4-methyl-1H-pyrrole-2-carboxylic acid (PubChem CID 14643173) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 4-methyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1H-pyrrole-2-carboxylic acid
PubChem CID14643173
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name4-methyl-1H-pyrrole-2-carboxylic acid
SMILESCc1c[nH]c(C(=O)O)c1
InChIInChI=1S/C6H7NO2/c1-4-2-5(6(8)9)7-3-4/h2-3,7H,1H3,(H,8,9)
InChIKeyYXYAHRAFINYJPL-UHFFFAOYSA-N
XLogP1.02
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-methyl-1H-pyrrole-2-carboxylic acid (CID 14643173) is 4-methyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-methyl-1H-pyrrole-2-carboxylic acid is Cc1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-methyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is YXYAHRAFINYJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-4-2-5(6(8)9)7-3-4/h2-3,7H,1H3,(H,8,9).
What are the key properties of 4-methyl-1H-pyrrole-2-carboxylic acid?
4-methyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 125.13 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 14643173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).