3-{2-(1-Pyrrolidinylmethyl)-butyryl}-1,2-benzisoxazole

HCID 19976943
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Basic information

Standard SMILES
CCC(CN1CCCC1)C(=O)c1noc2ccccc12
InChIKey
OCVYIDNWVOGETL-UHFFFAOYSA-N
Molecular formula
C16H20N2O2
Average molar mass
272.34 g/mol

Names & identifiers

Preferred name
3-{2-(1-Pyrrolidinylmethyl)-butyryl}-1,2-benzisoxazole
IUPAC
1-(1,2-benzoxazol-3-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one

Names & synonyms

SCHEMBL8880551OCVYIDNWVOGETL-UHFFFAOYSA-N3-{2(1-pyrrolidinylmethyl)butyryl}-1,2-benzisoxazole3-{2-(-pyrroIidinylmethyl)-butyryl}-1,2-benzisoxazole3-{2-(1-pyrrolidinylmethyl)-butyryl}-1,2-benzisoxazole

Database identifiers

PubChem CID
19976943

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
46.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
20

Related reactions

3 records
New reaction record

Compound notes

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3-{2-(1-Pyrrolidinylmethyl)-butyryl}-1,2-benzisoxazole (HCID 19976943)｜Huagongshe