3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[2,3-c]pyridine

C15H19N3 — CID 10131003

IUPAC3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[2,3-c]pyridine
SMILESc1cc2c(C3CCN4CCCC4C3)c[nH]c2cn1
InChIInChI=1S/C15H19N3/c1-2-12-8-11(4-7-18(12)6-1)14-9-17-15-10-16-5-3-13(14)15/h3,5,9-12,17H,1-2,4,6-8H2
InChIKeyGXIKJOYLWCYVQN-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.90
Rot. Bonds1

About 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[2,3-c]pyridine

3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[2,3-c]pyridine (PubChem CID 10131003) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[2,3-c]pyridine
PubChem CID10131003
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[2,3-c]pyridine
SMILESc1cc2c(C3CCN4CCCC4C3)c[nH]c2cn1
InChIInChI=1S/C15H19N3/c1-2-12-8-11(4-7-18(12)6-1)14-9-17-15-10-16-5-3-13(14)15/h3,5,9-12,17H,1-2,4,6-8H2
InChIKeyGXIKJOYLWCYVQN-UHFFFAOYSA-N
XLogP2.90
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[2,3-c]pyridine (CID 10131003) is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[2,3-c]pyridine is c1cc2c(C3CCN4CCCC4C3)c[nH]c2cn1.
What is the InChIKey of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is GXIKJOYLWCYVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-12-8-11(4-7-18(12)6-1)14-9-17-15-10-16-5-3-13(14)15/h3,5,9-12,17H,1-2,4,6-8H2.
What are the key properties of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[2,3-c]pyridine?
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 241.34 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 10131003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).