2-(1-aminoethyl)-6-methylpyran-4-one

C8H11NO2 — CID 176992244

IUPAC2-(1-aminoethyl)-6-methylpyran-4-one
SMILESCc1cc(=O)cc(C(C)N)o1
InChIInChI=1S/C8H11NO2/c1-5-3-7(10)4-8(11-5)6(2)9/h3-4,6H,9H2,1-2H3
InChIKeyWPUZTYJGLCVAJI-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.97
Rot. Bonds1

About 2-(1-aminoethyl)-6-methylpyran-4-one

2-(1-aminoethyl)-6-methylpyran-4-one (PubChem CID 176992244) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-(1-aminoethyl)-6-methylpyran-4-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-6-methylpyran-4-one
PubChem CID176992244
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-(1-aminoethyl)-6-methylpyran-4-one
SMILESCc1cc(=O)cc(C(C)N)o1
InChIInChI=1S/C8H11NO2/c1-5-3-7(10)4-8(11-5)6(2)9/h3-4,6H,9H2,1-2H3
InChIKeyWPUZTYJGLCVAJI-UHFFFAOYSA-N
XLogP0.97
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-aminoethyl)-6-methylpyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-6-methylpyran-4-one?
The IUPAC name of 2-(1-aminoethyl)-6-methylpyran-4-one (CID 176992244) is 2-(1-aminoethyl)-6-methylpyran-4-one.
What is the SMILES notation for 2-(1-aminoethyl)-6-methylpyran-4-one?
The canonical SMILES for 2-(1-aminoethyl)-6-methylpyran-4-one is Cc1cc(=O)cc(C(C)N)o1.
What is the InChIKey of 2-(1-aminoethyl)-6-methylpyran-4-one?
The InChIKey is WPUZTYJGLCVAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5-3-7(10)4-8(11-5)6(2)9/h3-4,6H,9H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-6-methylpyran-4-one?
2-(1-aminoethyl)-6-methylpyran-4-one has a molecular weight of 153.18 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-6-methylpyran-4-one is sourced from PubChem (CID 176992244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).