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

C7H6N2O2 — CID 150467473

IUPAC1H-pyrrolo[3,4-b]pyrrole-5-carboxylic acid
SMILESO=C(O)n1cc2cc[nH]c2c1
InChIInChI=1S/C7H6N2O2/c10-7(11)9-3-5-1-2-8-6(5)4-9/h1-4,8H,(H,10,11)
InChIKeyHRCAKKYHFCVPIE-UHFFFAOYSA-N
MW150.14 g/mol
LogP1.50
Rot. Bonds

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

1H-pyrrolo[3,4-b]pyrrole-5-carboxylic acid (PubChem CID 150467473) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is 1H-pyrrolo[3,4-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name1H-pyrrolo[3,4-b]pyrrole-5-carboxylic acid
PubChem CID150467473
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name1H-pyrrolo[3,4-b]pyrrole-5-carboxylic acid
SMILESO=C(O)n1cc2cc[nH]c2c1
InChIInChI=1S/C7H6N2O2/c10-7(11)9-3-5-1-2-8-6(5)4-9/h1-4,8H,(H,10,11)
InChIKeyHRCAKKYHFCVPIE-UHFFFAOYSA-N
XLogP1.50
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[3,4-b]pyrrole-5-carboxylic acid?
The IUPAC name of 1H-pyrrolo[3,4-b]pyrrole-5-carboxylic acid (CID 150467473) is 1H-pyrrolo[3,4-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 1H-pyrrolo[3,4-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 1H-pyrrolo[3,4-b]pyrrole-5-carboxylic acid is O=C(O)n1cc2cc[nH]c2c1.
What is the InChIKey of 1H-pyrrolo[3,4-b]pyrrole-5-carboxylic acid?
The InChIKey is HRCAKKYHFCVPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c10-7(11)9-3-5-1-2-8-6(5)4-9/h1-4,8H,(H,10,11).
What are the key properties of 1H-pyrrolo[3,4-b]pyrrole-5-carboxylic acid?
1H-pyrrolo[3,4-b]pyrrole-5-carboxylic acid has a molecular weight of 150.14 g/mol, XLogP of 1.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[3,4-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 150467473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).