Basic information
- CAS
116337-81-6- Standard SMILES
C=C(CC)C(=O)c1ccc2c(c1)OCC(=O)N2C- InChIKey
KALQVNGZTBLJJY-UHFFFAOYSA-N- Molecular formula
- C14H15NO3
- Average molar mass
- 245.27 g/mol
- Monoisotopic mass
- 245.10519334
Overview
structure given in first source
Names & identifiers
- Preferred name
- 4-Methyl-7-(2-methylene-1-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one
- IUPAC
- 4-methyl-7-(2-methylidenebutanoyl)-1,4-benzoxazin-3-one
- English name
- 4-methyl-7-(2-methylene-1-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one
- Molecular formula
- C14H15NO3
- Molecular weight
- 245.27
Names & synonyms
116337-81-64-Methyl-7-(2-methylene-1-oxobutyl)-2H-1,4-benzoxazin-3(4H)-oneDTXSID40151368RefChem:998134-MMOBDTXCID2073859BRN 43202332H-1,4-Benzoxazin-3(4H)-one, 4-methyl-7-(2-methylene-1-oxobutyl)-4-methyl-7-(2-methylidenebutanoyl)-2H-1,4-benzoxazin-3(4H)-one
Database identifiers
- CAS
116337-81-6- PubChem CID
- 197262
- DTXSID
DTXSID40151368- Nikkaji
- J372.153A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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