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

C17H22N2 — CID 70379153

IUPAC1-ethyl-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine
SMILESCCC1CCCN2CCC3C(=C12)N=C1C=CC=CC13
InChIInChI=1S/C17H22N2/c1-2-12-6-5-10-19-11-9-14-13-7-3-4-8-15(13)18-16(14)17(12)19/h3-4,7-8,12-14H,2,5-6,9-11H2,1H3
InChIKeyILMWPNYRDQRUMO-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.54
Rot. Bonds1

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

1-ethyl-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine (PubChem CID 70379153) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-ethyl-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine.

Molecular Properties

Compound Name1-ethyl-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine
PubChem CID70379153
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-ethyl-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine
SMILESCCC1CCCN2CCC3C(=C12)N=C1C=CC=CC13
InChIInChI=1S/C17H22N2/c1-2-12-6-5-10-19-11-9-14-13-7-3-4-8-15(13)18-16(14)17(12)19/h3-4,7-8,12-14H,2,5-6,9-11H2,1H3
InChIKeyILMWPNYRDQRUMO-UHFFFAOYSA-N
XLogP3.54
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine?
The IUPAC name of 1-ethyl-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine (CID 70379153) is 1-ethyl-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine.
What is the SMILES notation for 1-ethyl-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine?
The canonical SMILES for 1-ethyl-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine is CCC1CCCN2CCC3C(=C12)N=C1C=CC=CC13.
What is the InChIKey of 1-ethyl-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine?
The InChIKey is ILMWPNYRDQRUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-12-6-5-10-19-11-9-14-13-7-3-4-8-15(13)18-16(14)17(12)19/h3-4,7-8,12-14H,2,5-6,9-11H2,1H3.
What are the key properties of 1-ethyl-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine?
1-ethyl-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine has a molecular weight of 254.38 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine is sourced from PubChem (CID 70379153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).