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

C7H8N2 — CID 68634455

IUPAC3a,4-dihydro-1H-pyrrolo[3,4-c]pyridine
SMILESC1=NCC2=CC=NCC12
InChIInChI=1S/C7H8N2/c1-2-8-4-7-5-9-3-6(1)7/h1-2,5,7H,3-4H2
InChIKeyVDJJBQDYGFFHOP-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.70
Rot. Bonds

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

3a,4-dihydro-1H-pyrrolo[3,4-c]pyridine (PubChem CID 68634455) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 3a,4-dihydro-1H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name3a,4-dihydro-1H-pyrrolo[3,4-c]pyridine
PubChem CID68634455
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name3a,4-dihydro-1H-pyrrolo[3,4-c]pyridine
SMILESC1=NCC2=CC=NCC12
InChIInChI=1S/C7H8N2/c1-2-8-4-7-5-9-3-6(1)7/h1-2,5,7H,3-4H2
InChIKeyVDJJBQDYGFFHOP-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3a,4-dihydro-1H-pyrrolo[3,4-c]pyridine?
The IUPAC name of 3a,4-dihydro-1H-pyrrolo[3,4-c]pyridine (CID 68634455) is 3a,4-dihydro-1H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for 3a,4-dihydro-1H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for 3a,4-dihydro-1H-pyrrolo[3,4-c]pyridine is C1=NCC2=CC=NCC12.
What is the InChIKey of 3a,4-dihydro-1H-pyrrolo[3,4-c]pyridine?
The InChIKey is VDJJBQDYGFFHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-8-4-7-5-9-3-6(1)7/h1-2,5,7H,3-4H2.
What are the key properties of 3a,4-dihydro-1H-pyrrolo[3,4-c]pyridine?
3a,4-dihydro-1H-pyrrolo[3,4-c]pyridine has a molecular weight of 120.15 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4-dihydro-1H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 68634455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).