Basic information
- Standard SMILES
CCCn1c(=O)oc(=O)c2ccccc21- InChIKey
GGMJXZRDZQXNSI-UHFFFAOYSA-N- Molecular formula
- C11H11NO3
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.07389321
Names & identifiers
- Preferred name
- N-propylisatoic anhydride
- IUPAC
- 1-propyl-3,1-benzoxazine-2,4-dione
Names & synonyms
N-propylisatoic anhydride57384-38-0DTXSID40398059RefChem:364883DTXCID403489181-propyl-3,1-benzoxazine-2,4-dione1-propyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione1-propyl-1h-benzo[d][1,3]oxazine-2,4-dioneSCHEMBL5263281CHEMBL2146657GGMJXZRDZQXNSI-UHFFFAOYSA-NAKOS002665035
Show more names
1-propyl-2H-3,1-benzoxazine-2,4(1H)-dione
Database identifiers
- CAS
57384-38-0- PubChem CID
- 3933296
- DTXSID
DTXSID40398059- ChEMBL
CHEMBL2146657- Nikkaji
- J3.079.185A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 277
Related reactions
2 records
Linked notes
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