2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine

C7H14N2 — CID 58044710

IUPAC2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine
SMILESC1CNC2CCNC2C1
InChIInChI=1S/C7H14N2/c1-2-6-7(8-4-1)3-5-9-6/h6-9H,1-5H2
InChIKeyIJVGODUTGYOVKR-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.10
Rot. Bonds

About 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine

2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine (PubChem CID 58044710) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine
PubChem CID58044710
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine
SMILESC1CNC2CCNC2C1
InChIInChI=1S/C7H14N2/c1-2-6-7(8-4-1)3-5-9-6/h6-9H,1-5H2
InChIKeyIJVGODUTGYOVKR-UHFFFAOYSA-N
XLogP0.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine (CID 58044710) is 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine is C1CNC2CCNC2C1.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is IJVGODUTGYOVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-2-6-7(8-4-1)3-5-9-6/h6-9H,1-5H2.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine?
2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 126.20 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 58044710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).