N-(1-bromoprop-1-enyl)ethanimine

C5H8BrN — CID 123524980

IUPACN-(1-bromoprop-1-enyl)ethanimine
SMILESCC=NC(Br)=CC
InChIInChI=1S/C5H8BrN/c1-3-5(6)7-4-2/h3-4H,1-2H3
InChIKeyXBGYOUUBKSOXJR-UHFFFAOYSA-N
MW162.03 g/mol
LogP2.33
Rot. Bonds1

About N-(1-bromoprop-1-enyl)ethanimine

N-(1-bromoprop-1-enyl)ethanimine (PubChem CID 123524980) has the molecular formula C5H8BrN and a molecular weight of 162.03 g/mol. Its IUPAC name is N-(1-bromoprop-1-enyl)ethanimine.

Molecular Properties

Compound NameN-(1-bromoprop-1-enyl)ethanimine
PubChem CID123524980
Molecular FormulaC5H8BrN
Molecular Weight162.03 g/mol
Exact Mass160.98
IUPAC NameN-(1-bromoprop-1-enyl)ethanimine
SMILESCC=NC(Br)=CC
InChIInChI=1S/C5H8BrN/c1-3-5(6)7-4-2/h3-4H,1-2H3
InChIKeyXBGYOUUBKSOXJR-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-bromoprop-1-enyl)ethanimine?
The IUPAC name of N-(1-bromoprop-1-enyl)ethanimine (CID 123524980) is N-(1-bromoprop-1-enyl)ethanimine.
What is the SMILES notation for N-(1-bromoprop-1-enyl)ethanimine?
The canonical SMILES for N-(1-bromoprop-1-enyl)ethanimine is CC=NC(Br)=CC.
What is the InChIKey of N-(1-bromoprop-1-enyl)ethanimine?
The InChIKey is XBGYOUUBKSOXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN/c1-3-5(6)7-4-2/h3-4H,1-2H3.
What are the key properties of N-(1-bromoprop-1-enyl)ethanimine?
N-(1-bromoprop-1-enyl)ethanimine has a molecular weight of 162.03 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromoprop-1-enyl)ethanimine is sourced from PubChem (CID 123524980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).