1-Acetyl-isoquinoline oxime

HCID 639287CAS 58021-79-7
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Basic information

Standard SMILES
CC(=NO)c1nccc2ccccc12
InChIKey
GOQPVTDERBMNLA-UHFFFAOYSA-N
Molecular formula
C11H10N2O
Average molar mass
186.21 g/mol
Monoisotopic mass
186.07931294

Names & identifiers

Preferred name
1-Acetyl-isoquinoline oxime
IUPAC
N-(1-isoquinolin-1-ylethylidene)hydroxylamine

Names & synonyms

1-acetyl-isoquinoline oxime58021-79-7SCHEMBL8564181GOQPVTDERBMNLA-UHFFFAOYSA-NDTXSID1013005451-(1-Isoquinolinyl)ethanone oximeN-[1-(Isoquinolin-1-yl)ethylidene]hydroxylamine

Database identifiers

CAS
58021-79-7
PubChem CID
639287
DTXSID
DTXSID101300545

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
45.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
14

Related reactions

2 records
New reaction record

Linked notes

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