4-methyl-2H-pyrrole-3,5-dicarboxylic acid

C7H7NO4 — CID 162252588

IUPAC4-methyl-2H-pyrrole-3,5-dicarboxylic acid
SMILESCC1=C(C(=O)O)CN=C1C(=O)O
InChIInChI=1S/C7H7NO4/c1-3-4(6(9)10)2-8-5(3)7(11)12/h2H2,1H3,(H,9,10)(H,11,12)
InChIKeyFQNOCQTUHWNNFU-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.07
Rot. Bonds2

About 4-methyl-2H-pyrrole-3,5-dicarboxylic acid

4-methyl-2H-pyrrole-3,5-dicarboxylic acid (PubChem CID 162252588) has the molecular formula C7H7NO4 and a molecular weight of 169.14 g/mol. Its IUPAC name is 4-methyl-2H-pyrrole-3,5-dicarboxylic acid.

Molecular Properties

Compound Name4-methyl-2H-pyrrole-3,5-dicarboxylic acid
PubChem CID162252588
Molecular FormulaC7H7NO4
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Name4-methyl-2H-pyrrole-3,5-dicarboxylic acid
SMILESCC1=C(C(=O)O)CN=C1C(=O)O
InChIInChI=1S/C7H7NO4/c1-3-4(6(9)10)2-8-5(3)7(11)12/h2H2,1H3,(H,9,10)(H,11,12)
InChIKeyFQNOCQTUHWNNFU-UHFFFAOYSA-N
XLogP-0.07
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2H-pyrrole-3,5-dicarboxylic acid?
The IUPAC name of 4-methyl-2H-pyrrole-3,5-dicarboxylic acid (CID 162252588) is 4-methyl-2H-pyrrole-3,5-dicarboxylic acid.
What is the SMILES notation for 4-methyl-2H-pyrrole-3,5-dicarboxylic acid?
The canonical SMILES for 4-methyl-2H-pyrrole-3,5-dicarboxylic acid is CC1=C(C(=O)O)CN=C1C(=O)O.
What is the InChIKey of 4-methyl-2H-pyrrole-3,5-dicarboxylic acid?
The InChIKey is FQNOCQTUHWNNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4/c1-3-4(6(9)10)2-8-5(3)7(11)12/h2H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 4-methyl-2H-pyrrole-3,5-dicarboxylic acid?
4-methyl-2H-pyrrole-3,5-dicarboxylic acid has a molecular weight of 169.14 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2H-pyrrole-3,5-dicarboxylic acid is sourced from PubChem (CID 162252588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).