4,6,9,9a-tetrahydro-1H-quinolizine

C9H13N — CID 543174

IUPAC4,6,9,9a-tetrahydro-1H-quinolizine
SMILESC1=CCN2CC=CCC2C1
InChIInChI=1S/C9H13N/c1-3-7-10-8-4-2-6-9(10)5-1/h1-4,9H,5-8H2
InChIKeyVHMFCNJLBGINGR-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.58
Rot. Bonds

About 4,6,9,9a-tetrahydro-1H-quinolizine

4,6,9,9a-tetrahydro-1H-quinolizine (PubChem CID 543174) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 4,6,9,9a-tetrahydro-1H-quinolizine.

Molecular Properties

Compound Name4,6,9,9a-tetrahydro-1H-quinolizine
PubChem CID543174
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name4,6,9,9a-tetrahydro-1H-quinolizine
SMILESC1=CCN2CC=CCC2C1
InChIInChI=1S/C9H13N/c1-3-7-10-8-4-2-6-9(10)5-1/h1-4,9H,5-8H2
InChIKeyVHMFCNJLBGINGR-UHFFFAOYSA-N
XLogP1.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4,6,9,9a-tetrahydro-1H-quinolizine?
The IUPAC name of 4,6,9,9a-tetrahydro-1H-quinolizine (CID 543174) is 4,6,9,9a-tetrahydro-1H-quinolizine.
What is the SMILES notation for 4,6,9,9a-tetrahydro-1H-quinolizine?
The canonical SMILES for 4,6,9,9a-tetrahydro-1H-quinolizine is C1=CCN2CC=CCC2C1.
What is the InChIKey of 4,6,9,9a-tetrahydro-1H-quinolizine?
The InChIKey is VHMFCNJLBGINGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-3-7-10-8-4-2-6-9(10)5-1/h1-4,9H,5-8H2.
What are the key properties of 4,6,9,9a-tetrahydro-1H-quinolizine?
4,6,9,9a-tetrahydro-1H-quinolizine has a molecular weight of 135.21 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,9,9a-tetrahydro-1H-quinolizine is sourced from PubChem (CID 543174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).