Basic information
- Standard SMILES
C#CCN1C(=O)C(C)Oc2ccc(N=C=O)cc21- InChIKey
XSWRCRSAZXWTLC-UHFFFAOYSA-N- Molecular formula
- C13H10N2O3
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.06914219
Names & identifiers
- Preferred name
- 6-isocyanato-2-methyl-3,4-dihydro-3-oxo-4-(2-propynyl)-2H-1,4-benzoxazine
- IUPAC
- 6-isocyanato-2-methyl-4-prop-2-ynyl-1,4-benzoxazin-3-one
Names & synonyms
XSWRCRSAZXWTLC-UHFFFAOYSA-N6-isocyanato-2- methyl-3,4-dihydro-3-oxo-4-(2-propynyl)-2H-1,4-benzoxazine
Database identifiers
- PubChem CID
- 15029563
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 433
Related reactions
1 records
Compound notes
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