2,3,4,6,7,9a-hexahydro-1H-quinolizine

C9H15N — CID 585979

IUPAC2,3,4,6,7,9a-hexahydro-1H-quinolizine
SMILESC1=CC2CCCCN2CC1
InChIInChI=1S/C9H15N/c1-3-7-10-8-4-2-6-9(10)5-1/h1,5,9H,2-4,6-8H2
InChIKeyQOSLIXYQUYOILJ-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.80
Rot. Bonds

About 2,3,4,6,7,9a-hexahydro-1H-quinolizine

2,3,4,6,7,9a-hexahydro-1H-quinolizine (PubChem CID 585979) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2,3,4,6,7,9a-hexahydro-1H-quinolizine.

Molecular Properties

Compound Name2,3,4,6,7,9a-hexahydro-1H-quinolizine
PubChem CID585979
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2,3,4,6,7,9a-hexahydro-1H-quinolizine
SMILESC1=CC2CCCCN2CC1
InChIInChI=1S/C9H15N/c1-3-7-10-8-4-2-6-9(10)5-1/h1,5,9H,2-4,6-8H2
InChIKeyQOSLIXYQUYOILJ-UHFFFAOYSA-N
XLogP1.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.80
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 2,3,4,6,7,9a-hexahydro-1H-quinolizine?
The IUPAC name of 2,3,4,6,7,9a-hexahydro-1H-quinolizine (CID 585979) is 2,3,4,6,7,9a-hexahydro-1H-quinolizine.
What is the SMILES notation for 2,3,4,6,7,9a-hexahydro-1H-quinolizine?
The canonical SMILES for 2,3,4,6,7,9a-hexahydro-1H-quinolizine is C1=CC2CCCCN2CC1.
What is the InChIKey of 2,3,4,6,7,9a-hexahydro-1H-quinolizine?
The InChIKey is QOSLIXYQUYOILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-7-10-8-4-2-6-9(10)5-1/h1,5,9H,2-4,6-8H2.
What are the key properties of 2,3,4,6,7,9a-hexahydro-1H-quinolizine?
2,3,4,6,7,9a-hexahydro-1H-quinolizine has a molecular weight of 137.23 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,9a-hexahydro-1H-quinolizine is sourced from PubChem (CID 585979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).