2-(1,3-benzodioxol-5-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one

CAS: 111896-94-7

Molecular Formula	`C15H15NO3`
Molecular Weight	257.28 g/mol
LogP	2.5
Topological Polar Surface Area	38.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	1
Exact Mass	257.1052
Heavy Atoms	19
Complexity	412.0

Chemical Identifiers

CAS Number	111896-94-7
SMILES	`C1CN2CCC1C(=O)C2=CC3=CC4=C(C=C3)OCO4`
InChIKey	`NGNUATHUAAONSD-UHFFFAOYSA-N`

📖 Product Overview

2-(1,3-benzodioxol-5-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one (CAS: 111896-94-7) is a chemical compound with molecular formula C15H15NO3 and molecular weight 257.28 g/mol. Its IUPAC systematic name is 2-(1,3-benzodioxol-5-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one. LogP 2.5 Topological Polar Surface Area 38.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 1 Exact Mass 257.1052 Heavy Atoms 19 Complexity 412.0 InChI Key: NGNUATHUAAONSD-UHFFFAOYSA-N. SMILES: C1CN2CCC1C(=O)C2=CC3=CC4=C(C=C3)OCO4.

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