3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione

C7H10N2O2 — CID 50990315

IUPAC3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1NC(=O)C2CNCCC12
InChIInChI=1S/C7H10N2O2/c10-6-4-1-2-8-3-5(4)7(11)9-6/h4-5,8H,1-3H2,(H,9,10,11)
InChIKeyNTTSIFKFFVZGMO-UHFFFAOYSA-N
MW154.17 g/mol
LogP-1.13
Rot. Bonds

About 3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione

3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 50990315) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID50990315
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1NC(=O)C2CNCCC12
InChIInChI=1S/C7H10N2O2/c10-6-4-1-2-8-3-5(4)7(11)9-6/h4-5,8H,1-3H2,(H,9,10,11)
InChIKeyNTTSIFKFFVZGMO-UHFFFAOYSA-N
XLogP-1.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione (CID 50990315) is 3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione is O=C1NC(=O)C2CNCCC12.
What is the InChIKey of 3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is NTTSIFKFFVZGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c10-6-4-1-2-8-3-5(4)7(11)9-6/h4-5,8H,1-3H2,(H,9,10,11).
What are the key properties of 3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione?
3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 154.17 g/mol, XLogP of -1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 50990315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).