HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

2-bromopropionic acid N-cyano-N-butylamide

HCID 53869097
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCN(C#N)C(=O)C(C)Br
InChIKey
HBVJQQWJAJTBNZ-UHFFFAOYSA-N
Molecular formula
C8H13BrN2O
Average molar mass
233.11 g/mol
Monoisotopic mass
232.02113

Names & identifiers

Preferred name
2-bromopropionic acid N-cyano-N-butylamide
IUPAC
2-bromo-N-butyl-N-cyanopropanamide

Names & synonyms

SCHEMBL10500742HBVJQQWJAJTBNZ-UHFFFAOYSA-N2-bromopropionic acid N-cyano-N-butylamide

Database identifiers

PubChem CID
53869097

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
44.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
12
Formal charge
0
Complexity
196

Related reactions

3 records
New reaction record
HRID 235551 reaction equation
HRID 235551As productuspto-grants-1987_02
HRID 845695 reaction equation
HRID 845695As productuspto-grants-1988_07
HRID 1552232 reaction equation
HRID 1552232As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes