Basic information
- CAS
40360-67-6- Standard SMILES
O=C(c1ccc2c(c1)OCO2)N1CCc2ccccc21- InChIKey
WQVWCNGGJFMCEF-UHFFFAOYSA-N- Molecular formula
- C16H13NO3
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.08954328
Names & identifiers
- Preferred name
- 1,3-benzodioxol-5-yl(2,3-dihydro-1H-indol-1-yl)methanone
- IUPAC
- 1,3-benzodioxol-5-yl(2,3-dihydroindol-1-yl)methanone
Names & synonyms
40360-67-61,3-benzodioxol-5-yl(2,3-dihydro-1H-indol-1-yl)methanone1,3-benzodioxol-5-yl(2,3-dihydroindol-1-yl)methanonebenzo[d][1,3]dioxol-5-yl(indolin-1-yl)methanone(2H-1,3-Benzodioxol-5-yl)(2,3-dihydro-1H-indol-1-yl)methanoneOprea1_174797Oprea1_666163MLS001222478F1044-0020IFLab1_004532CHEMBL1576537Benzo[1,3]dioxol-5-yl-(2,3-dihydro-indol-1-yl)-methanone
Show more names
DTXSID701328494HMS1424N22HMS2905K23STK034836AKOS000677425IDI1_010287SMR000608273ST043244
Database identifiers
- CAS
40360-67-6- PubChem CID
- 669591
- DTXSID
DTXSID701328494- ChEMBL
CHEMBL1576537- Nikkaji
- J2.240.358C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 386
Experimental & physicochemical properties
Solubility34.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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