4-(Quinolin-3-yl)-but-3-en-2-one

HCID 54184457CAS 921206-10-2
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Basic information

Standard SMILES
CC(=O)C=Cc1cnc2ccccc2c1
InChIKey
PECQMBYMPKIUNA-UHFFFAOYSA-N
Molecular formula
C13H11NO
Average molar mass
197.23 g/mol
Monoisotopic mass
197.08406397

Names & identifiers

Preferred name
4-(Quinolin-3-yl)-but-3-en-2-one
IUPAC
4-quinolin-3-ylbut-3-en-2-one

Names & synonyms

SCHEMBL6421753DTXSID10709613PECQMBYMPKIUNA-UHFFFAOYSA-N4-(Quinolin-3-yl)-but-3-en-2-one

Database identifiers

CAS
921206-10-2
PubChem CID
54184457
DTXSID
DTXSID10709613

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
30 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
15

Related reactions

8 records
New reaction record

Linked notes

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