2,3a-dimethyl-5,6,7,7a-tetrahydro-4H-pyrrolo[3,4-c]pyridine-1,3-dione

C9H14N2O2 — CID 18685046

IUPAC2,3a-dimethyl-5,6,7,7a-tetrahydro-4H-pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCN1C(=O)C2CCNCC2(C)C1=O
InChIInChI=1S/C9H14N2O2/c1-9-5-10-4-3-6(9)7(12)11(2)8(9)13/h6,10H,3-5H2,1-2H3
InChIKeyUMGNHNWYEUAACY-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.40
Rot. Bonds

About 2,3a-dimethyl-5,6,7,7a-tetrahydro-4H-pyrrolo[3,4-c]pyridine-1,3-dione

2,3a-dimethyl-5,6,7,7a-tetrahydro-4H-pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 18685046) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2,3a-dimethyl-5,6,7,7a-tetrahydro-4H-pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2,3a-dimethyl-5,6,7,7a-tetrahydro-4H-pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID18685046
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2,3a-dimethyl-5,6,7,7a-tetrahydro-4H-pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCN1C(=O)C2CCNCC2(C)C1=O
InChIInChI=1S/C9H14N2O2/c1-9-5-10-4-3-6(9)7(12)11(2)8(9)13/h6,10H,3-5H2,1-2H3
InChIKeyUMGNHNWYEUAACY-UHFFFAOYSA-N
XLogP-0.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3a-dimethyl-5,6,7,7a-tetrahydro-4H-pyrrolo[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 2,3a-dimethyl-5,6,7,7a-tetrahydro-4H-pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2,3a-dimethyl-5,6,7,7a-tetrahydro-4H-pyrrolo[3,4-c]pyridine-1,3-dione (CID 18685046) is 2,3a-dimethyl-5,6,7,7a-tetrahydro-4H-pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2,3a-dimethyl-5,6,7,7a-tetrahydro-4H-pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2,3a-dimethyl-5,6,7,7a-tetrahydro-4H-pyrrolo[3,4-c]pyridine-1,3-dione is CN1C(=O)C2CCNCC2(C)C1=O.
What is the InChIKey of 2,3a-dimethyl-5,6,7,7a-tetrahydro-4H-pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is UMGNHNWYEUAACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-9-5-10-4-3-6(9)7(12)11(2)8(9)13/h6,10H,3-5H2,1-2H3.
What are the key properties of 2,3a-dimethyl-5,6,7,7a-tetrahydro-4H-pyrrolo[3,4-c]pyridine-1,3-dione?
2,3a-dimethyl-5,6,7,7a-tetrahydro-4H-pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 182.22 g/mol, XLogP of -0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3a-dimethyl-5,6,7,7a-tetrahydro-4H-pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 18685046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).