Basic information
- CAS
5543-37-3- Standard SMILES
O=c1oc2ccccc2nc1-c1c[nH]c2ccccc12- InChIKey
JAURZMWTUPUGQM-UHFFFAOYSA-N- Molecular formula
- C16H10N2O2
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.07422757
Overview
structure in first source
Names & identifiers
- Preferred name
- Cephalandole A
- IUPAC
- 3-(1H-indol-3-yl)-1,4-benzoxazin-2-one
Names & synonyms
5543-37-3Cephalandole ARefChem:9182293-Indol-3-yl-2H-1,4-benzoxazin-2-oneBRN 05395172H-1,4-BENZOXAZIN-2-ONE, 3-INDOL-3-YL-3-(1H-Indol-3-yl)-2H-benzo[b][1,4]oxazin-2-oneNSC711808SCHEMBL18593298NSC-711808
Database identifiers
- CAS
5543-37-3- PubChem CID
- 21707
- Nikkaji
- J67.850C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 434
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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