3,7-dihydro-2H-pyrrolo[3,4-b]pyridine

C7H8N2 — CID 90746963

IUPAC3,7-dihydro-2H-pyrrolo[3,4-b]pyridine
SMILESC1=NCC2=NCCC=C12
InChIInChI=1S/C7H8N2/c1-2-6-4-8-5-7(6)9-3-1/h2,4H,1,3,5H2
InChIKeyAOPUSTWHCYFJQE-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.84
Rot. Bonds

About 3,7-dihydro-2H-pyrrolo[3,4-b]pyridine

3,7-dihydro-2H-pyrrolo[3,4-b]pyridine (PubChem CID 90746963) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 3,7-dihydro-2H-pyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name3,7-dihydro-2H-pyrrolo[3,4-b]pyridine
PubChem CID90746963
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name3,7-dihydro-2H-pyrrolo[3,4-b]pyridine
SMILESC1=NCC2=NCCC=C12
InChIInChI=1S/C7H8N2/c1-2-6-4-8-5-7(6)9-3-1/h2,4H,1,3,5H2
InChIKeyAOPUSTWHCYFJQE-UHFFFAOYSA-N
XLogP0.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7-dihydro-2H-pyrrolo[3,4-b]pyridine?
The IUPAC name of 3,7-dihydro-2H-pyrrolo[3,4-b]pyridine (CID 90746963) is 3,7-dihydro-2H-pyrrolo[3,4-b]pyridine.
What is the SMILES notation for 3,7-dihydro-2H-pyrrolo[3,4-b]pyridine?
The canonical SMILES for 3,7-dihydro-2H-pyrrolo[3,4-b]pyridine is C1=NCC2=NCCC=C12.
What is the InChIKey of 3,7-dihydro-2H-pyrrolo[3,4-b]pyridine?
The InChIKey is AOPUSTWHCYFJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-6-4-8-5-7(6)9-3-1/h2,4H,1,3,5H2.
What are the key properties of 3,7-dihydro-2H-pyrrolo[3,4-b]pyridine?
3,7-dihydro-2H-pyrrolo[3,4-b]pyridine has a molecular weight of 120.15 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dihydro-2H-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 90746963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).