7-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-4H-quinolizine

C17H20N2 — CID 87899159

IUPAC7-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-4H-quinolizine
SMILESCN1C2C=C(C3=CN4CC=CC=C4C=C3)CC1CC2
InChIInChI=1S/C17H20N2/c1-18-16-7-8-17(18)11-14(10-16)13-5-6-15-4-2-3-9-19(15)12-13/h2-6,10,12,16-17H,7-9,11H2,1H3
InChIKeyXISHQULWJLQRRY-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.99
Rot. Bonds1

About 7-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-4H-quinolizine

7-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-4H-quinolizine (PubChem CID 87899159) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 7-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-4H-quinolizine.

Molecular Properties

Compound Name7-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-4H-quinolizine
PubChem CID87899159
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name7-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-4H-quinolizine
SMILESCN1C2C=C(C3=CN4CC=CC=C4C=C3)CC1CC2
InChIInChI=1S/C17H20N2/c1-18-16-7-8-17(18)11-14(10-16)13-5-6-15-4-2-3-9-19(15)12-13/h2-6,10,12,16-17H,7-9,11H2,1H3
InChIKeyXISHQULWJLQRRY-UHFFFAOYSA-N
XLogP2.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-4H-quinolizine?
The IUPAC name of 7-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-4H-quinolizine (CID 87899159) is 7-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-4H-quinolizine.
What is the SMILES notation for 7-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-4H-quinolizine?
The canonical SMILES for 7-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-4H-quinolizine is CN1C2C=C(C3=CN4CC=CC=C4C=C3)CC1CC2.
What is the InChIKey of 7-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-4H-quinolizine?
The InChIKey is XISHQULWJLQRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-18-16-7-8-17(18)11-14(10-16)13-5-6-15-4-2-3-9-19(15)12-13/h2-6,10,12,16-17H,7-9,11H2,1H3.
What are the key properties of 7-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-4H-quinolizine?
7-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-4H-quinolizine has a molecular weight of 252.36 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-4H-quinolizine is sourced from PubChem (CID 87899159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).