2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine

C7H10N2 — CID 141392143

IUPAC2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine
SMILESC1=NCC2=C1NCCC2
InChIInChI=1S/C7H10N2/c1-2-6-4-8-5-7(6)9-3-1/h5,9H,1-4H2
InChIKeyQQXKPGQXLYEFGT-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.71
Rot. Bonds

About 2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine

2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine (PubChem CID 141392143) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine
PubChem CID141392143
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine
SMILESC1=NCC2=C1NCCC2
InChIInChI=1S/C7H10N2/c1-2-6-4-8-5-7(6)9-3-1/h5,9H,1-4H2
InChIKeyQQXKPGQXLYEFGT-UHFFFAOYSA-N
XLogP0.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine
CID 17858138
2,3,4,5-tetrahydro-1H-pyrrolo[2,3-c]pyridine
CID 68044282
4,5,6,7-tetrahydro-3H-pyrrolo[2,3-c]pyridine
CID 122434811
4,5,6,7-tetrahydro-3H-pyrrolo[3,4-b]pyridine
CID 144707948
4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
CID 158411994
5-methyl-2,3,4,5-tetrahydro-1H-pyrrolo[2,3-c]pyridine
CID 169693931
1,2,3,4,5,8-Hexahydro-1,6-naphthyridine
CID 173071579
1,2,3,4,5,6-Hexahydro-1,7-naphthyridin-7-ium
CID 173071676
1,2,3,4,5,6-Hexahydro-1,7-naphthyridine
CID 173071677
1,2,3,4,7,8-Hexahydro-1,6-naphthyridine
CID 173072230
1,2,3,4,7,8-Hexahydro-1,6-naphthyridin-6-ium
CID 173072363
4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine
CID 157052418

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine?
The IUPAC name of 2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine (CID 141392143) is 2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine.
What is the SMILES notation for 2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine?
The canonical SMILES for 2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine is C1=NCC2=C1NCCC2.
What is the InChIKey of 2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine?
The InChIKey is QQXKPGQXLYEFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-6-4-8-5-7(6)9-3-1/h5,9H,1-4H2.
What are the key properties of 2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine?
2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine has a molecular weight of 122.17 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 141392143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).