6-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione

C13H12N2O4 — CID 92968055

IUPAC6-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCC1(C)C[C@@H](N2C(=O)c3cccnc3C2=O)C(=O)O1
InChIInChI=1S/C13H12N2O4/c1-13(2)6-8(12(18)19-13)15-10(16)7-4-3-5-14-9(7)11(15)17/h3-5,8H,6H2,1-2H3/t8-/m1/s1
InChIKeyHHFPUUXKZGIZFR-MRVPVSSYSA-N
MW260.25 g/mol
LogP0.77
Rot. Bonds1

About 6-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione

6-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 92968055) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 6-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID92968055
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name6-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCC1(C)C[C@@H](N2C(=O)c3cccnc3C2=O)C(=O)O1
InChIInChI=1S/C13H12N2O4/c1-13(2)6-8(12(18)19-13)15-10(16)7-4-3-5-14-9(7)11(15)17/h3-5,8H,6H2,1-2H3/t8-/m1/s1
InChIKeyHHFPUUXKZGIZFR-MRVPVSSYSA-N
XLogP0.77
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione (CID 92968055) is 6-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione is CC1(C)C[C@@H](N2C(=O)c3cccnc3C2=O)C(=O)O1.
What is the InChIKey of 6-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is HHFPUUXKZGIZFR-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-13(2)6-8(12(18)19-13)15-10(16)7-4-3-5-14-9(7)11(15)17/h3-5,8H,6H2,1-2H3/t8-/m1/s1.
What are the key properties of 6-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione?
6-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 260.25 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 92968055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).