2-(2-aminoethyl)-2,3,4,6-tetrahydroquinolizin-1-one

C11H16N2O — CID 70083408

IUPAC2-(2-aminoethyl)-2,3,4,6-tetrahydroquinolizin-1-one
SMILESNCCC1CCN2CC=CC=C2C1=O
InChIInChI=1S/C11H16N2O/c12-6-4-9-5-8-13-7-2-1-3-10(13)11(9)14/h1-3,9H,4-8,12H2
InChIKeyXTSYDKMLAHBAKF-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.68
Rot. Bonds2

About 2-(2-aminoethyl)-2,3,4,6-tetrahydroquinolizin-1-one

2-(2-aminoethyl)-2,3,4,6-tetrahydroquinolizin-1-one (PubChem CID 70083408) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(2-aminoethyl)-2,3,4,6-tetrahydroquinolizin-1-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-2,3,4,6-tetrahydroquinolizin-1-one
PubChem CID70083408
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(2-aminoethyl)-2,3,4,6-tetrahydroquinolizin-1-one
SMILESNCCC1CCN2CC=CC=C2C1=O
InChIInChI=1S/C11H16N2O/c12-6-4-9-5-8-13-7-2-1-3-10(13)11(9)14/h1-3,9H,4-8,12H2
InChIKeyXTSYDKMLAHBAKF-UHFFFAOYSA-N
XLogP0.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-2,3,4,6-tetrahydroquinolizin-1-one?
The IUPAC name of 2-(2-aminoethyl)-2,3,4,6-tetrahydroquinolizin-1-one (CID 70083408) is 2-(2-aminoethyl)-2,3,4,6-tetrahydroquinolizin-1-one.
What is the SMILES notation for 2-(2-aminoethyl)-2,3,4,6-tetrahydroquinolizin-1-one?
The canonical SMILES for 2-(2-aminoethyl)-2,3,4,6-tetrahydroquinolizin-1-one is NCCC1CCN2CC=CC=C2C1=O.
What is the InChIKey of 2-(2-aminoethyl)-2,3,4,6-tetrahydroquinolizin-1-one?
The InChIKey is XTSYDKMLAHBAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-6-4-9-5-8-13-7-2-1-3-10(13)11(9)14/h1-3,9H,4-8,12H2.
What are the key properties of 2-(2-aminoethyl)-2,3,4,6-tetrahydroquinolizin-1-one?
2-(2-aminoethyl)-2,3,4,6-tetrahydroquinolizin-1-one has a molecular weight of 192.26 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-2,3,4,6-tetrahydroquinolizin-1-one is sourced from PubChem (CID 70083408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).