4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-1-yl)-4H-quinolizine

C17H20N2 — CID 57323930

IUPAC4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-1-yl)-4H-quinolizine
SMILESCN1C2CC=CC1(C1C=CC=C3C=CC=CN31)CC2
InChIInChI=1S/C17H20N2/c1-18-14-8-5-11-17(18,12-10-14)16-9-4-7-15-6-2-3-13-19(15)16/h2-7,9,11,13-14,16H,8,10,12H2,1H3
InChIKeyYJXUJTDWXQFAFD-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.99
Rot. Bonds1

About 4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-1-yl)-4H-quinolizine

4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-1-yl)-4H-quinolizine (PubChem CID 57323930) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-1-yl)-4H-quinolizine.

Molecular Properties

Compound Name4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-1-yl)-4H-quinolizine
PubChem CID57323930
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-1-yl)-4H-quinolizine
SMILESCN1C2CC=CC1(C1C=CC=C3C=CC=CN31)CC2
InChIInChI=1S/C17H20N2/c1-18-14-8-5-11-17(18,12-10-14)16-9-4-7-15-6-2-3-13-19(15)16/h2-7,9,11,13-14,16H,8,10,12H2,1H3
InChIKeyYJXUJTDWXQFAFD-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-1-yl)-4H-quinolizine?
The IUPAC name of 4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-1-yl)-4H-quinolizine (CID 57323930) is 4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-1-yl)-4H-quinolizine.
What is the SMILES notation for 4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-1-yl)-4H-quinolizine?
The canonical SMILES for 4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-1-yl)-4H-quinolizine is CN1C2CC=CC1(C1C=CC=C3C=CC=CN31)CC2.
What is the InChIKey of 4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-1-yl)-4H-quinolizine?
The InChIKey is YJXUJTDWXQFAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-18-14-8-5-11-17(18,12-10-14)16-9-4-7-15-6-2-3-13-19(15)16/h2-7,9,11,13-14,16H,8,10,12H2,1H3.
What are the key properties of 4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-1-yl)-4H-quinolizine?
4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-1-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 4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-1-yl)-4H-quinolizine is sourced from PubChem (CID 57323930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).