4,7-dihydro-1H-pyrrolo[3,4-c]pyridine

C7H8N2 — CID 123878789

IUPAC4,7-dihydro-1H-pyrrolo[3,4-c]pyridine
SMILESC1=NCC2=C(C1)CN=C2
InChIInChI=1S/C7H8N2/c1-2-8-4-7-5-9-3-6(1)7/h2,5H,1,3-4H2
InChIKeyNGOPSXNWTBZTRY-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.84
Rot. Bonds

About 4,7-dihydro-1H-pyrrolo[3,4-c]pyridine

4,7-dihydro-1H-pyrrolo[3,4-c]pyridine (PubChem CID 123878789) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 4,7-dihydro-1H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name4,7-dihydro-1H-pyrrolo[3,4-c]pyridine
PubChem CID123878789
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name4,7-dihydro-1H-pyrrolo[3,4-c]pyridine
SMILESC1=NCC2=C(C1)CN=C2
InChIInChI=1S/C7H8N2/c1-2-8-4-7-5-9-3-6(1)7/h2,5H,1,3-4H2
InChIKeyNGOPSXNWTBZTRY-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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Related Compounds

3a,4-dihydro-1H-pyrrolo[3,4-c]pyridine
CID 68634455
3,7-dihydro-2H-pyrrolo[3,4-b]pyridine
CID 90746963
5,7a-dihydro-3H-pyrrolo[2,3-b]pyridine
CID 90924180
3-ethyl-4-methyl-2H-pyrrole
CID 159508155

Frequently Asked Questions

What is the IUPAC name of 4,7-dihydro-1H-pyrrolo[3,4-c]pyridine?
The IUPAC name of 4,7-dihydro-1H-pyrrolo[3,4-c]pyridine (CID 123878789) is 4,7-dihydro-1H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for 4,7-dihydro-1H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for 4,7-dihydro-1H-pyrrolo[3,4-c]pyridine is C1=NCC2=C(C1)CN=C2.
What is the InChIKey of 4,7-dihydro-1H-pyrrolo[3,4-c]pyridine?
The InChIKey is NGOPSXNWTBZTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-8-4-7-5-9-3-6(1)7/h2,5H,1,3-4H2.
What are the key properties of 4,7-dihydro-1H-pyrrolo[3,4-c]pyridine?
4,7-dihydro-1H-pyrrolo[3,4-c]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 4,7-dihydro-1H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 123878789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).