4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-3-carboxylic acid

C8H8N2O3 — CID 11401113

IUPAC4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1[nH]cc2c1C(=O)NCC2
InChIInChI=1S/C8H8N2O3/c11-7-5-4(1-2-9-7)3-10-6(5)8(12)13/h3,10H,1-2H2,(H,9,11)(H,12,13)
InChIKeyFZJIKBLWZILHGL-UHFFFAOYSA-N
MW180.16 g/mol
LogP-0.00
Rot. Bonds1

About 4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-3-carboxylic acid

4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-3-carboxylic acid (PubChem CID 11401113) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-3-carboxylic acid
PubChem CID11401113
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1[nH]cc2c1C(=O)NCC2
InChIInChI=1S/C8H8N2O3/c11-7-5-4(1-2-9-7)3-10-6(5)8(12)13/h3,10H,1-2H2,(H,9,11)(H,12,13)
InChIKeyFZJIKBLWZILHGL-UHFFFAOYSA-N
XLogP-0.00
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-3-carboxylic acid?
The IUPAC name of 4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-3-carboxylic acid (CID 11401113) is 4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-3-carboxylic acid?
The canonical SMILES for 4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-3-carboxylic acid is O=C(O)c1[nH]cc2c1C(=O)NCC2.
What is the InChIKey of 4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-3-carboxylic acid?
The InChIKey is FZJIKBLWZILHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c11-7-5-4(1-2-9-7)3-10-6(5)8(12)13/h3,10H,1-2H2,(H,9,11)(H,12,13).
What are the key properties of 4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-3-carboxylic acid?
4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-3-carboxylic acid has a molecular weight of 180.16 g/mol, XLogP of -0.00, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 11401113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).