1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylic acid

C8H8N2O2 — CID 51000043

IUPAC1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylic acid
SMILESCn1ccc2[nH]c(C(=O)O)cc21
InChIInChI=1S/C8H8N2O2/c1-10-3-2-5-7(10)4-6(9-5)8(11)12/h2-4,9H,1H3,(H,11,12)
InChIKeyMKNMFJGDGQHMER-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.20
Rot. Bonds1

About 1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylic acid

1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 51000043) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylic acid
PubChem CID51000043
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylic acid
SMILESCn1ccc2[nH]c(C(=O)O)cc21
InChIInChI=1S/C8H8N2O2/c1-10-3-2-5-7(10)4-6(9-5)8(11)12/h2-4,9H,1H3,(H,11,12)
InChIKeyMKNMFJGDGQHMER-UHFFFAOYSA-N
XLogP1.20
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylic acid (CID 51000043) is 1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylic acid is Cn1ccc2[nH]c(C(=O)O)cc21.
What is the InChIKey of 1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is MKNMFJGDGQHMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-10-3-2-5-7(10)4-6(9-5)8(11)12/h2-4,9H,1H3,(H,11,12).
What are the key properties of 1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylic acid?
1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 164.16 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 51000043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).