1,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-2-one

C7H12N2O — CID 83479078

IUPAC1,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-2-one
SMILESO=C1CCC2CNCC2N1
InChIInChI=1S/C7H12N2O/c10-7-2-1-5-3-8-4-6(5)9-7/h5-6,8H,1-4H2,(H,9,10)
InChIKeyWFNAZNCBYOHJHY-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.52
Rot. Bonds

About 1,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-2-one

1,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-2-one (PubChem CID 83479078) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-2-one.

Molecular Properties

Compound Name1,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-2-one
PubChem CID83479078
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-2-one
SMILESO=C1CCC2CNCC2N1
InChIInChI=1S/C7H12N2O/c10-7-2-1-5-3-8-4-6(5)9-7/h5-6,8H,1-4H2,(H,9,10)
InChIKeyWFNAZNCBYOHJHY-UHFFFAOYSA-N
XLogP-0.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-2-one 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 1,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-2-one?
The IUPAC name of 1,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-2-one (CID 83479078) is 1,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-2-one.
What is the SMILES notation for 1,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-2-one?
The canonical SMILES for 1,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-2-one is O=C1CCC2CNCC2N1.
What is the InChIKey of 1,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-2-one?
The InChIKey is WFNAZNCBYOHJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c10-7-2-1-5-3-8-4-6(5)9-7/h5-6,8H,1-4H2,(H,9,10).
What are the key properties of 1,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-2-one?
1,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-2-one has a molecular weight of 140.19 g/mol, XLogP of -0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-2-one is sourced from PubChem (CID 83479078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).