2-methyl-6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one

C15H13NO4 — CID 43463663

IUPAC2-methyl-6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one
SMILESCc1occc1C(=O)c1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C15H13NO4/c1-8-11(5-6-19-8)14(17)10-3-4-13-12(7-10)16-15(18)9(2)20-13/h3-7,9H,1-2H3,(H,16,18)
InChIKeyQWFZDEWBHBLYHG-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.54
Rot. Bonds2

About 2-methyl-6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one

2-methyl-6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one (PubChem CID 43463663) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-methyl-6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one
PubChem CID43463663
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name2-methyl-6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one
SMILESCc1occc1C(=O)c1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C15H13NO4/c1-8-11(5-6-19-8)14(17)10-3-4-13-12(7-10)16-15(18)9(2)20-13/h3-7,9H,1-2H3,(H,16,18)
InChIKeyQWFZDEWBHBLYHG-UHFFFAOYSA-N
XLogP2.54
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,5-dimethylfuran-3-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 43463658
6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43463267
N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 116827630
2-methyl-6-(pyridine-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43340904
6-(4,5-dimethylthiophene-2-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 65237117
6-(3-bromobenzoyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 43340877
6-(2,2-dimethylpropanoyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 43162307
2-methyl-6-[2-(methylamino)acetyl]-4H-1,4-benzoxazin-3-one
CID 82496236
6-(2-aminoacetyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 82339477
2-methyl-6-(3,3,3-trifluoropropanoyl)-4H-1,4-benzoxazin-3-one
CID 43340891
6-(5-chlorothiophene-2-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 62276294
6-butanoyl-2-methyl-4H-1,4-benzoxazin-3-one
CID 43162308

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 2-methyl-6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one (CID 43463663) is 2-methyl-6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-methyl-6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 2-methyl-6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one is Cc1occc1C(=O)c1ccc2c(c1)NC(=O)C(C)O2.
What is the InChIKey of 2-methyl-6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is QWFZDEWBHBLYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-8-11(5-6-19-8)14(17)10-3-4-13-12(7-10)16-15(18)9(2)20-13/h3-7,9H,1-2H3,(H,16,18).
What are the key properties of 2-methyl-6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one?
2-methyl-6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 271.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 43463663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).