6-acetyl-3-methoxy-4-(prop-1-en-2-ylamino)pyran-2-one

C11H13NO4 — CID 172587829

IUPAC6-acetyl-3-methoxy-4-(prop-1-en-2-ylamino)pyran-2-one
SMILESC=C(C)Nc1cc(C(C)=O)oc(=O)c1OC
InChIInChI=1S/C11H13NO4/c1-6(2)12-8-5-9(7(3)13)16-11(14)10(8)15-4/h5,12H,1H2,2-4H3
InChIKeyQGALZVAUPMACPE-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.80
Rot. Bonds4

About 6-acetyl-3-methoxy-4-(prop-1-en-2-ylamino)pyran-2-one

6-acetyl-3-methoxy-4-(prop-1-en-2-ylamino)pyran-2-one (PubChem CID 172587829) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 6-acetyl-3-methoxy-4-(prop-1-en-2-ylamino)pyran-2-one.

Molecular Properties

Compound Name6-acetyl-3-methoxy-4-(prop-1-en-2-ylamino)pyran-2-one
PubChem CID172587829
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name6-acetyl-3-methoxy-4-(prop-1-en-2-ylamino)pyran-2-one
SMILESC=C(C)Nc1cc(C(C)=O)oc(=O)c1OC
InChIInChI=1S/C11H13NO4/c1-6(2)12-8-5-9(7(3)13)16-11(14)10(8)15-4/h5,12H,1H2,2-4H3
InChIKeyQGALZVAUPMACPE-UHFFFAOYSA-N
XLogP1.80
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-acetyl-3-methoxy-4-(prop-1-en-2-ylamino)pyran-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

Related Compounds

6-acetyl-3-(2-methoxyethoxy)-4-(prop-1-en-2-ylamino)pyran-2-one;fluoromethane
CID 172587741
4-anilino-5-methoxy-6-oxopyran-2-carboxylic acid;ethane;methane
CID 172587807
methyl 5-methoxy-4-methyl-6-oxopyran-2-carboxylate
CID 171819217
(7-hydroxy-4-methoxy-2-oxochromen-3-yl) acetate
CID 19929885
N-[5-(4-aminobut-3-en-2-ylideneamino)-1,3,4-thiadiazol-2-yl]-5-methoxy-4-(methylamino)-6-oxopyran-2-carboxamide
CID 174342262
1-(6-hydroxy-7-methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone
CID 71357678
2-acetyl-7-methoxyfuro[2,3-c]pyridine-4-carboxylic acid
CID 22112799
N-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide
CID 110792977
(5-acetyl-2-methylfuran-3-yl) acetate
CID 174700084
1-(4-methoxy-1-benzofuran-2-yl)ethanone
CID 3042306
propan-2-one;2,3,4-trimethoxybicyclo[3.1.0]hexa-1(6),2,4-triene
CID 175025217
7-acetyl-4-methoxy-1-benzofuran-2-carboxamide
CID 13258186

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-3-methoxy-4-(prop-1-en-2-ylamino)pyran-2-one?
The IUPAC name of 6-acetyl-3-methoxy-4-(prop-1-en-2-ylamino)pyran-2-one (CID 172587829) is 6-acetyl-3-methoxy-4-(prop-1-en-2-ylamino)pyran-2-one.
What is the SMILES notation for 6-acetyl-3-methoxy-4-(prop-1-en-2-ylamino)pyran-2-one?
The canonical SMILES for 6-acetyl-3-methoxy-4-(prop-1-en-2-ylamino)pyran-2-one is C=C(C)Nc1cc(C(C)=O)oc(=O)c1OC.
What is the InChIKey of 6-acetyl-3-methoxy-4-(prop-1-en-2-ylamino)pyran-2-one?
The InChIKey is QGALZVAUPMACPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-6(2)12-8-5-9(7(3)13)16-11(14)10(8)15-4/h5,12H,1H2,2-4H3.
What are the key properties of 6-acetyl-3-methoxy-4-(prop-1-en-2-ylamino)pyran-2-one?
6-acetyl-3-methoxy-4-(prop-1-en-2-ylamino)pyran-2-one has a molecular weight of 223.23 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-3-methoxy-4-(prop-1-en-2-ylamino)pyran-2-one is sourced from PubChem (CID 172587829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).