N-methylbut-2-enimidoyl bromide

C5H8BrN — CID 123265318

IUPACN-methylbut-2-enimidoyl bromide
SMILESCC=C/C(Br)=N/C
InChIInChI=1S/C5H8BrN/c1-3-4-5(6)7-2/h3-4H,1-2H3/b4-3?,7-5-
InChIKeyMEGOLXCERSXYIM-YFPBZNGSSA-N
MW162.03 g/mol
LogP1.99
Rot. Bonds1

About N-methylbut-2-enimidoyl bromide

N-methylbut-2-enimidoyl bromide (PubChem CID 123265318) has the molecular formula C5H8BrN and a molecular weight of 162.03 g/mol. Its IUPAC name is N-methylbut-2-enimidoyl bromide.

Molecular Properties

Compound NameN-methylbut-2-enimidoyl bromide
PubChem CID123265318
Molecular FormulaC5H8BrN
Molecular Weight162.03 g/mol
Exact Mass160.98
IUPAC NameN-methylbut-2-enimidoyl bromide
SMILESCC=C/C(Br)=N/C
InChIInChI=1S/C5H8BrN/c1-3-4-5(6)7-2/h3-4H,1-2H3/b4-3?,7-5-
InChIKeyMEGOLXCERSXYIM-YFPBZNGSSA-N
XLogP1.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.03
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methylbut-2-enimidoyl bromide?
The IUPAC name of N-methylbut-2-enimidoyl bromide (CID 123265318) is N-methylbut-2-enimidoyl bromide.
What is the SMILES notation for N-methylbut-2-enimidoyl bromide?
The canonical SMILES for N-methylbut-2-enimidoyl bromide is CC=C/C(Br)=N/C.
What is the InChIKey of N-methylbut-2-enimidoyl bromide?
The InChIKey is MEGOLXCERSXYIM-YFPBZNGSSA-N. The full InChI is InChI=1S/C5H8BrN/c1-3-4-5(6)7-2/h3-4H,1-2H3/b4-3?,7-5-.
What are the key properties of N-methylbut-2-enimidoyl bromide?
N-methylbut-2-enimidoyl bromide has a molecular weight of 162.03 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylbut-2-enimidoyl bromide is sourced from PubChem (CID 123265318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).