2,5-dihydro-1H-pyrrolo[3,4-c]quinoline-3,4-dione

C11H8N2O2 — CID 21473979

IUPAC2,5-dihydro-1H-pyrrolo[3,4-c]quinoline-3,4-dione
SMILESO=C1NCc2c1c(=O)[nH]c1ccccc21
InChIInChI=1S/C11H8N2O2/c14-10-9-7(5-12-10)6-3-1-2-4-8(6)13-11(9)15/h1-4H,5H2,(H,12,14)(H,13,15)
InChIKeyCOWGZPVRXPGGKW-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.77
Rot. Bonds

About 2,5-dihydro-1H-pyrrolo[3,4-c]quinoline-3,4-dione

2,5-dihydro-1H-pyrrolo[3,4-c]quinoline-3,4-dione (PubChem CID 21473979) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 2,5-dihydro-1H-pyrrolo[3,4-c]quinoline-3,4-dione.

Molecular Properties

Compound Name2,5-dihydro-1H-pyrrolo[3,4-c]quinoline-3,4-dione
PubChem CID21473979
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name2,5-dihydro-1H-pyrrolo[3,4-c]quinoline-3,4-dione
SMILESO=C1NCc2c1c(=O)[nH]c1ccccc21
InChIInChI=1S/C11H8N2O2/c14-10-9-7(5-12-10)6-3-1-2-4-8(6)13-11(9)15/h1-4H,5H2,(H,12,14)(H,13,15)
InChIKeyCOWGZPVRXPGGKW-UHFFFAOYSA-N
XLogP0.77
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1H-pyrrolo[3,4-c]quinoline-3,4-dione?
The IUPAC name of 2,5-dihydro-1H-pyrrolo[3,4-c]quinoline-3,4-dione (CID 21473979) is 2,5-dihydro-1H-pyrrolo[3,4-c]quinoline-3,4-dione.
What is the SMILES notation for 2,5-dihydro-1H-pyrrolo[3,4-c]quinoline-3,4-dione?
The canonical SMILES for 2,5-dihydro-1H-pyrrolo[3,4-c]quinoline-3,4-dione is O=C1NCc2c1c(=O)[nH]c1ccccc21.
What is the InChIKey of 2,5-dihydro-1H-pyrrolo[3,4-c]quinoline-3,4-dione?
The InChIKey is COWGZPVRXPGGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c14-10-9-7(5-12-10)6-3-1-2-4-8(6)13-11(9)15/h1-4H,5H2,(H,12,14)(H,13,15).
What are the key properties of 2,5-dihydro-1H-pyrrolo[3,4-c]quinoline-3,4-dione?
2,5-dihydro-1H-pyrrolo[3,4-c]quinoline-3,4-dione has a molecular weight of 200.20 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-pyrrolo[3,4-c]quinoline-3,4-dione is sourced from PubChem (CID 21473979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).