1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine

C15H18N2 — CID 70379185

IUPAC1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine
SMILESC1=CC2=NC3=C4CCCCN4CCC3C2C=C1
InChIInChI=1S/C15H18N2/c1-2-6-13-11(5-1)12-8-10-17-9-4-3-7-14(17)15(12)16-13/h1-2,5-6,11-12H,3-4,7-10H2
InChIKeyKBBUONSYVRNLSR-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.90
Rot. Bonds

About 1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine

1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine (PubChem CID 70379185) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine.

Molecular Properties

Compound Name1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine
PubChem CID70379185
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine
SMILESC1=CC2=NC3=C4CCCCN4CCC3C2C=C1
InChIInChI=1S/C15H18N2/c1-2-6-13-11(5-1)12-8-10-17-9-4-3-7-14(17)15(12)16-13/h1-2,5-6,11-12H,3-4,7-10H2
InChIKeyKBBUONSYVRNLSR-UHFFFAOYSA-N
XLogP2.90
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine?
The IUPAC name of 1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine (CID 70379185) is 1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine.
What is the SMILES notation for 1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine?
The canonical SMILES for 1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine is C1=CC2=NC3=C4CCCCN4CCC3C2C=C1.
What is the InChIKey of 1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine?
The InChIKey is KBBUONSYVRNLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-2-6-13-11(5-1)12-8-10-17-9-4-3-7-14(17)15(12)16-13/h1-2,5-6,11-12H,3-4,7-10H2.
What are the key properties of 1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine?
1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine has a molecular weight of 226.32 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine is sourced from PubChem (CID 70379185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).