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

C7H8N2 — CID 91307094

IUPAC3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine
SMILESC1=CC2CC=NC2N=C1
InChIInChI=1S/C7H8N2/c1-2-6-3-5-9-7(6)8-4-1/h1-2,4-7H,3H2
InChIKeySAVUOYMNUPSDGS-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.04
Rot. Bonds

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

3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine (PubChem CID 91307094) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine
PubChem CID91307094
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine
SMILESC1=CC2CC=NC2N=C1
InChIInChI=1S/C7H8N2/c1-2-6-3-5-9-7(6)8-4-1/h1-2,4-7H,3H2
InChIKeySAVUOYMNUPSDGS-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine (CID 91307094) is 3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine is C1=CC2CC=NC2N=C1.
What is the InChIKey of 3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine?
The InChIKey is SAVUOYMNUPSDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-6-3-5-9-7(6)8-4-1/h1-2,4-7H,3H2.
What are the key properties of 3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine?
3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine has a molecular weight of 120.15 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 91307094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).