3-amino-4-methoxy-6-methylpyran-2-one

C7H9NO3 — CID 71415412

IUPAC3-amino-4-methoxy-6-methylpyran-2-one
SMILESCOc1cc(C)oc(=O)c1N
InChIInChI=1S/C7H9NO3/c1-4-3-5(10-2)6(8)7(9)11-4/h3H,8H2,1-2H3
InChIKeyANXBZJYJYCGOTG-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.54
Rot. Bonds1

About 3-amino-4-methoxy-6-methylpyran-2-one

3-amino-4-methoxy-6-methylpyran-2-one (PubChem CID 71415412) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 3-amino-4-methoxy-6-methylpyran-2-one.

Molecular Properties

Compound Name3-amino-4-methoxy-6-methylpyran-2-one
PubChem CID71415412
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name3-amino-4-methoxy-6-methylpyran-2-one
SMILESCOc1cc(C)oc(=O)c1N
InChIInChI=1S/C7H9NO3/c1-4-3-5(10-2)6(8)7(9)11-4/h3H,8H2,1-2H3
InChIKeyANXBZJYJYCGOTG-UHFFFAOYSA-N
XLogP0.54
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-4-methoxy-6-methylpyran-2-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 3-amino-4-methoxy-6-methylpyran-2-one?
The IUPAC name of 3-amino-4-methoxy-6-methylpyran-2-one (CID 71415412) is 3-amino-4-methoxy-6-methylpyran-2-one.
What is the SMILES notation for 3-amino-4-methoxy-6-methylpyran-2-one?
The canonical SMILES for 3-amino-4-methoxy-6-methylpyran-2-one is COc1cc(C)oc(=O)c1N.
What is the InChIKey of 3-amino-4-methoxy-6-methylpyran-2-one?
The InChIKey is ANXBZJYJYCGOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-4-3-5(10-2)6(8)7(9)11-4/h3H,8H2,1-2H3.
What are the key properties of 3-amino-4-methoxy-6-methylpyran-2-one?
3-amino-4-methoxy-6-methylpyran-2-one has a molecular weight of 155.15 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-6-methylpyran-2-one is sourced from PubChem (CID 71415412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).