5-amino-2-(3,4-dimethoxyphenyl)-4-hydroxy-2-methylfuran-3-one

C13H15NO5 — CID 90081326

IUPAC5-amino-2-(3,4-dimethoxyphenyl)-4-hydroxy-2-methylfuran-3-one
SMILESCOc1ccc(C2(C)OC(N)=C(O)C2=O)cc1OC
InChIInChI=1S/C13H15NO5/c1-13(11(16)10(15)12(14)19-13)7-4-5-8(17-2)9(6-7)18-3/h4-6,15H,14H2,1-3H3
InChIKeyRVBAAGHAEMKNDG-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.20
Rot. Bonds3

About 5-amino-2-(3,4-dimethoxyphenyl)-4-hydroxy-2-methylfuran-3-one

5-amino-2-(3,4-dimethoxyphenyl)-4-hydroxy-2-methylfuran-3-one (PubChem CID 90081326) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 5-amino-2-(3,4-dimethoxyphenyl)-4-hydroxy-2-methylfuran-3-one.

Molecular Properties

Compound Name5-amino-2-(3,4-dimethoxyphenyl)-4-hydroxy-2-methylfuran-3-one
PubChem CID90081326
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name5-amino-2-(3,4-dimethoxyphenyl)-4-hydroxy-2-methylfuran-3-one
SMILESCOc1ccc(C2(C)OC(N)=C(O)C2=O)cc1OC
InChIInChI=1S/C13H15NO5/c1-13(11(16)10(15)12(14)19-13)7-4-5-8(17-2)9(6-7)18-3/h4-6,15H,14H2,1-3H3
InChIKeyRVBAAGHAEMKNDG-UHFFFAOYSA-N
XLogP1.20
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3,4-dimethoxyphenyl)-4-hydroxy-2-methylfuran-3-one?
The IUPAC name of 5-amino-2-(3,4-dimethoxyphenyl)-4-hydroxy-2-methylfuran-3-one (CID 90081326) is 5-amino-2-(3,4-dimethoxyphenyl)-4-hydroxy-2-methylfuran-3-one.
What is the SMILES notation for 5-amino-2-(3,4-dimethoxyphenyl)-4-hydroxy-2-methylfuran-3-one?
The canonical SMILES for 5-amino-2-(3,4-dimethoxyphenyl)-4-hydroxy-2-methylfuran-3-one is COc1ccc(C2(C)OC(N)=C(O)C2=O)cc1OC.
What is the InChIKey of 5-amino-2-(3,4-dimethoxyphenyl)-4-hydroxy-2-methylfuran-3-one?
The InChIKey is RVBAAGHAEMKNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-13(11(16)10(15)12(14)19-13)7-4-5-8(17-2)9(6-7)18-3/h4-6,15H,14H2,1-3H3.
What are the key properties of 5-amino-2-(3,4-dimethoxyphenyl)-4-hydroxy-2-methylfuran-3-one?
5-amino-2-(3,4-dimethoxyphenyl)-4-hydroxy-2-methylfuran-3-one has a molecular weight of 265.26 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3,4-dimethoxyphenyl)-4-hydroxy-2-methylfuran-3-one is sourced from PubChem (CID 90081326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).