9aH-quinolizine

C9H9N — CID 3663753

IUPAC9aH-quinolizine
SMILESC1=CC2C=CC=CN2C=C1
InChIInChI=1S/C9H9N/c1-3-7-10-8-4-2-6-9(10)5-1/h1-9H
InChIKeyJKOSGWKYFINVGX-UHFFFAOYSA-N
MW131.18 g/mol
LogP1.82
Rot. Bonds

About 9aH-quinolizine

9aH-quinolizine (PubChem CID 3663753) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 9aH-quinolizine.

Molecular Properties

Compound Name9aH-quinolizine
PubChem CID3663753
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name9aH-quinolizine
SMILESC1=CC2C=CC=CN2C=C1
InChIInChI=1S/C9H9N/c1-3-7-10-8-4-2-6-9(10)5-1/h1-9H
InChIKeyJKOSGWKYFINVGX-UHFFFAOYSA-N
XLogP1.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9aH-quinolizine?
The IUPAC name of 9aH-quinolizine (CID 3663753) is 9aH-quinolizine.
What is the SMILES notation for 9aH-quinolizine?
The canonical SMILES for 9aH-quinolizine is C1=CC2C=CC=CN2C=C1.
What is the InChIKey of 9aH-quinolizine?
The InChIKey is JKOSGWKYFINVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-3-7-10-8-4-2-6-9(10)5-1/h1-9H.
What are the key properties of 9aH-quinolizine?
9aH-quinolizine has a molecular weight of 131.18 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9aH-quinolizine is sourced from PubChem (CID 3663753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).