1-(6,7,8,9-tetrahydro-4H-quinolizin-1-yl)ethanone

C11H15NO — CID 67020372

IUPAC1-(6,7,8,9-tetrahydro-4H-quinolizin-1-yl)ethanone
SMILESCC(=O)C1=C2CCCCN2CC=C1
InChIInChI=1S/C11H15NO/c1-9(13)10-5-4-8-12-7-3-2-6-11(10)12/h4-5H,2-3,6-8H2,1H3
InChIKeyLTZFJSJTBKPGJY-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.89
Rot. Bonds1

About 1-(6,7,8,9-tetrahydro-4H-quinolizin-1-yl)ethanone

1-(6,7,8,9-tetrahydro-4H-quinolizin-1-yl)ethanone (PubChem CID 67020372) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(6,7,8,9-tetrahydro-4H-quinolizin-1-yl)ethanone.

Molecular Properties

Compound Name1-(6,7,8,9-tetrahydro-4H-quinolizin-1-yl)ethanone
PubChem CID67020372
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(6,7,8,9-tetrahydro-4H-quinolizin-1-yl)ethanone
SMILESCC(=O)C1=C2CCCCN2CC=C1
InChIInChI=1S/C11H15NO/c1-9(13)10-5-4-8-12-7-3-2-6-11(10)12/h4-5H,2-3,6-8H2,1H3
InChIKeyLTZFJSJTBKPGJY-UHFFFAOYSA-N
XLogP1.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7,8,9-tetrahydro-4H-quinolizin-1-yl)ethanone?
The IUPAC name of 1-(6,7,8,9-tetrahydro-4H-quinolizin-1-yl)ethanone (CID 67020372) is 1-(6,7,8,9-tetrahydro-4H-quinolizin-1-yl)ethanone.
What is the SMILES notation for 1-(6,7,8,9-tetrahydro-4H-quinolizin-1-yl)ethanone?
The canonical SMILES for 1-(6,7,8,9-tetrahydro-4H-quinolizin-1-yl)ethanone is CC(=O)C1=C2CCCCN2CC=C1.
What is the InChIKey of 1-(6,7,8,9-tetrahydro-4H-quinolizin-1-yl)ethanone?
The InChIKey is LTZFJSJTBKPGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9(13)10-5-4-8-12-7-3-2-6-11(10)12/h4-5H,2-3,6-8H2,1H3.
What are the key properties of 1-(6,7,8,9-tetrahydro-4H-quinolizin-1-yl)ethanone?
1-(6,7,8,9-tetrahydro-4H-quinolizin-1-yl)ethanone has a molecular weight of 177.25 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7,8,9-tetrahydro-4H-quinolizin-1-yl)ethanone is sourced from PubChem (CID 67020372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).