Basic information
- Standard SMILES
CC(C)(C)c1ccc2c(c1)CCNC2=O- InChIKey
KVSRTYBIFKWHND-UHFFFAOYSA-N- Molecular formula
- C13H17NO
- Average molar mass
- 203.28 g/mol
Names & identifiers
- Preferred name
- 6-(tert-Butyl)-3,4-dihydroisoquinolin-1(2H)-one
- IUPAC
- 6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one
Names & synonyms
1178884-68-86-(tert-Butyl)-3,4-dihydroisoquinolin-1(2H)-one6-tert-butyl-3,4-dihydroisoquinolin-1(2h)-oneMFCD194415166-tert-butyl-3,4-dihydro-2H-isoquinolin-1-oneSCHEMBL1432009KVSRTYBIFKWHND-UHFFFAOYSA-NAKOS0225346966-(tert-Butyl)-3,4--1(2H)-oneCS-15866SY251443DB-124383
Show more names
CS-0059181F30971F6030721(2H)-Isoquinolinone, 6-(1,1-dimethylethyl)-3,4-dihydro-
Database identifiers
- PubChem CID
- 59836660
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Related reactions
10 records
Compound notes
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