(4E)-4-[(Dimethylamino)methylene]-1,4-dihydro-3(2H)-isoquinolinone

HCID 68694591
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Basic information

Standard SMILES
CN(C)/C=C1/C(=O)NCc2ccccc21
InChIKey
BNTSIAFMGPIROE-DHZHZOJOSA-N
Molecular formula
C12H14N2O
Average molar mass
202.25 g/mol
Monoisotopic mass
202.11061307

Names & identifiers

Preferred name
(4E)-4-[(Dimethylamino)methylene]-1,4-dihydro-3(2H)-isoquinolinone
IUPAC
(4E)-4-(dimethylaminomethylidene)-1,2-dihydroisoquinolin-3-one

Names & synonyms

SCHEMBL3567070BNTSIAFMGPIROE-DHZHZOJOSA-N(4E)-4-[(Dimethylamino)methylene]-1,4-dihydro-3(2H)-isoquinolinone

Database identifiers

PubChem CID
68694591

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
32.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
15

Related reactions

5 records
New reaction record

Compound notes

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