1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylbut-3-en-2-one

2.1.2 InChI

InChI=1S/C15H17NO4/c17-13(10-16-5-7-18-8-6-16)3-1-12-2-4-14-15(9-12)20-11-19-14/h1-4,9H,5-8,10-11H2

2.1.3 InChI Key

YZEYXUODTOBXBK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1COCCN1CC(=O)C=CC2=CC3=C(C=C2)OCO3

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Yzeyxuodtobxbk-uhfffaoysa-n

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₇NO₄
Molecular Weight	275.30 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	48
Heavy Atom Count	20
Formal Charge	0
Complexity	365
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently Bonded Unit Count	1

CAS 148043-73-6