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

C14H11NO4 — CID 43463267

IUPAC6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one
SMILESCc1occc1C(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C14H11NO4/c1-8-10(4-5-18-8)14(17)9-2-3-12-11(6-9)15-13(16)7-19-12/h2-6H,7H2,1H3,(H,15,16)
InChIKeyYAJZAQPQRFTMCJ-UHFFFAOYSA-N
MW257.24 g/mol
LogP2.15
Rot. Bonds2

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

6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one (PubChem CID 43463267) has the molecular formula C14H11NO4 and a molecular weight of 257.24 g/mol. Its IUPAC name is 6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one
PubChem CID43463267
Molecular FormulaC14H11NO4
Molecular Weight257.24 g/mol
Exact Mass257.07
IUPAC Name6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one
SMILESCc1occc1C(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C14H11NO4/c1-8-10(4-5-18-8)14(17)9-2-3-12-11(6-9)15-13(16)7-19-12/h2-6H,7H2,1H3,(H,15,16)
InChIKeyYAJZAQPQRFTMCJ-UHFFFAOYSA-N
XLogP2.15
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43463663
6-(3-methylbenzoyl)-4H-1,4-benzoxazin-3-one
CID 43161468
6-(2,4-dibromobenzoyl)-4H-1,4-benzoxazin-3-one
CID 107949715
6-(3,5-difluorobenzoyl)-4H-1,4-benzoxazin-3-one
CID 43339523
6-(2,2-dichloroacetyl)-4H-1,4-benzoxazin-3-one
CID 116827168
2-(methylamino)-3-oxo-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanoic acid
CID 116924212
6-(3-methoxybenzoyl)-4H-1,4-benzoxazin-3-one
CID 43339539
6-(3-bromo-4-chlorobenzoyl)-4H-1,4-benzoxazin-3-one
CID 107998237
6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4H-1,4-benzoxazin-3-one
CID 45286055
6-(2-aminoacetyl)-4H-1,4-benzoxazin-3-one
CID 68979581
N-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-6-carboxamide
CID 78843937
1-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)cyclopropane-1-carbonitrile
CID 116920862

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one (CID 43463267) is 6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one is Cc1occc1C(=O)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is YAJZAQPQRFTMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-8-10(4-5-18-8)14(17)9-2-3-12-11(6-9)15-13(16)7-19-12/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one?
6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 257.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 43463267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).