3-amino-6,7,8,9-tetrahydroquinolizin-4-one

C9H12N2O — CID 105432435

IUPAC3-amino-6,7,8,9-tetrahydroquinolizin-4-one
SMILESNc1ccc2n(c1=O)CCCC2
InChIInChI=1S/C9H12N2O/c10-8-5-4-7-3-1-2-6-11(7)9(8)12/h4-5H,1-3,6,10H2
InChIKeyFLNAWLXBSLKTGB-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.77
Rot. Bonds

About 3-amino-6,7,8,9-tetrahydroquinolizin-4-one

3-amino-6,7,8,9-tetrahydroquinolizin-4-one (PubChem CID 105432435) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-amino-6,7,8,9-tetrahydroquinolizin-4-one.

Molecular Properties

Compound Name3-amino-6,7,8,9-tetrahydroquinolizin-4-one
PubChem CID105432435
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-amino-6,7,8,9-tetrahydroquinolizin-4-one
SMILESNc1ccc2n(c1=O)CCCC2
InChIInChI=1S/C9H12N2O/c10-8-5-4-7-3-1-2-6-11(7)9(8)12/h4-5H,1-3,6,10H2
InChIKeyFLNAWLXBSLKTGB-UHFFFAOYSA-N
XLogP0.77
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6,7,8,9-tetrahydroquinolizin-4-one?
The IUPAC name of 3-amino-6,7,8,9-tetrahydroquinolizin-4-one (CID 105432435) is 3-amino-6,7,8,9-tetrahydroquinolizin-4-one.
What is the SMILES notation for 3-amino-6,7,8,9-tetrahydroquinolizin-4-one?
The canonical SMILES for 3-amino-6,7,8,9-tetrahydroquinolizin-4-one is Nc1ccc2n(c1=O)CCCC2.
What is the InChIKey of 3-amino-6,7,8,9-tetrahydroquinolizin-4-one?
The InChIKey is FLNAWLXBSLKTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c10-8-5-4-7-3-1-2-6-11(7)9(8)12/h4-5H,1-3,6,10H2.
What are the key properties of 3-amino-6,7,8,9-tetrahydroquinolizin-4-one?
3-amino-6,7,8,9-tetrahydroquinolizin-4-one has a molecular weight of 164.21 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6,7,8,9-tetrahydroquinolizin-4-one is sourced from PubChem (CID 105432435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).