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ethyl 3-(N'-benzylidene-N-methylhydrazino)2-cyanoacrylate

HCID 3751881
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)C(C#N)=CN(C)N=Cc1ccccc1
InChIKey
LOLSIQDHBZSPBL-UHFFFAOYSA-N
Molecular formula
C14H15N3O2
Average molar mass
257.29 g/mol

Names & identifiers

Preferred name
ethyl 3-(N'-benzylidene-N-methylhydrazino)2-cyanoacrylate
IUPAC
ethyl 3-[(benzylideneamino)-methylamino]-2-cyanoprop-2-enoate

Names & synonyms

SCHEMBL646356LOLSIQDHBZSPBL-UHFFFAOYSA-NG66676ethyl 3-(N'-benzylidene-N-methylhydrazino)-2-cyanoacrylateethyl 3-(N'-benzylidene-N-methylhydrazino)2-cyanoacrylate

Database identifiers

PubChem CID
3751881

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
65.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
19
Formal charge
0
Complexity
400

Related reactions

6 records
New reaction record
HRID 603333 reaction equation
HRID 603333As reactantuspto-grants-2011_03
HRID 603334 reaction equation
HRID 603334As productuspto-grants-2011_03
HRID 1571400 reaction equation
HRID 1571400As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1643258 reaction equation
HRID 1643258As reactantuspto-grants-2012_02
HRID 1643259 reaction equation
HRID 1643259As productuspto-grants-2012_02
HRID 2246765 reaction equation
HRID 2246765As reactantuspto-grants-2010_03

Compound notes

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