6-(tert-Butyl)-3,4-dihydroisoquinolin-1(2H)-one

HCID 59836660

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

Related reactions

10 records

Compound notes

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