3H-pyrrolo[3,4-b]pyridine-2,5-dione

C7H4N2O2 — CID 70461504

IUPAC3H-pyrrolo[3,4-b]pyridine-2,5-dione
SMILESO=C1CC=C2C(=O)N=CC2=N1
InChIInChI=1S/C7H4N2O2/c10-6-2-1-4-5(9-6)3-8-7(4)11/h1,3H,2H2
InChIKeyFMJTYTMJIDCRPD-UHFFFAOYSA-N
MW148.12 g/mol
LogP-0.10
Rot. Bonds

About 3H-pyrrolo[3,4-b]pyridine-2,5-dione

3H-pyrrolo[3,4-b]pyridine-2,5-dione (PubChem CID 70461504) has the molecular formula C7H4N2O2 and a molecular weight of 148.12 g/mol. Its IUPAC name is 3H-pyrrolo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name3H-pyrrolo[3,4-b]pyridine-2,5-dione
PubChem CID70461504
Molecular FormulaC7H4N2O2
Molecular Weight148.12 g/mol
Exact Mass148.03
IUPAC Name3H-pyrrolo[3,4-b]pyridine-2,5-dione
SMILESO=C1CC=C2C(=O)N=CC2=N1
InChIInChI=1S/C7H4N2O2/c10-6-2-1-4-5(9-6)3-8-7(4)11/h1,3H,2H2
InChIKeyFMJTYTMJIDCRPD-UHFFFAOYSA-N
XLogP-0.10
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydropyrrolo[3,4-b]pyridin-5-one
CID 20505168
Pyrrolo[2,3-c]pyrrole-2,4-dione
CID 21666397
Pyrazolo[3,4-c]pyridin-7-one
CID 21880572
3H-pyridin-1-ium-4-carboxamide
CID 57095584
3a,4-Dihydropyrrolo[3,4-c]pyridin-1-one
CID 57322095
Pyrazolo[3,4-c]pyridin-5-one
CID 124364710
2H-pyrrolo[3,4-b]pyridine-3,5-dione
CID 153723401
Pyrrolo[2,3-d]pyridazin-2-one
CID 163622098

Frequently Asked Questions

What is the IUPAC name of 3H-pyrrolo[3,4-b]pyridine-2,5-dione?
The IUPAC name of 3H-pyrrolo[3,4-b]pyridine-2,5-dione (CID 70461504) is 3H-pyrrolo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for 3H-pyrrolo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for 3H-pyrrolo[3,4-b]pyridine-2,5-dione is O=C1CC=C2C(=O)N=CC2=N1.
What is the InChIKey of 3H-pyrrolo[3,4-b]pyridine-2,5-dione?
The InChIKey is FMJTYTMJIDCRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O2/c10-6-2-1-4-5(9-6)3-8-7(4)11/h1,3H,2H2.
What are the key properties of 3H-pyrrolo[3,4-b]pyridine-2,5-dione?
3H-pyrrolo[3,4-b]pyridine-2,5-dione has a molecular weight of 148.12 g/mol, XLogP of -0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrrolo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 70461504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).