(Z)-N-[(E)-1-bromoprop-1-enyl]ethanimine

C5H8BrN — CID 89148985

IUPAC(Z)-N-[(E)-1-bromoprop-1-enyl]ethanimine
SMILESC/C=N\C(Br)=C/C
InChIInChI=1S/C5H8BrN/c1-3-5(6)7-4-2/h3-4H,1-2H3/b5-3-,7-4-
InChIKeyXBGYOUUBKSOXJR-XDYPTIOJSA-N
MW162.03 g/mol
LogP2.33
Rot. Bonds1

About (Z)-N-[(E)-1-bromoprop-1-enyl]ethanimine

(Z)-N-[(E)-1-bromoprop-1-enyl]ethanimine (PubChem CID 89148985) has the molecular formula C5H8BrN and a molecular weight of 162.03 g/mol. Its IUPAC name is (Z)-N-[(E)-1-bromoprop-1-enyl]ethanimine.

Molecular Properties

Compound Name(Z)-N-[(E)-1-bromoprop-1-enyl]ethanimine
PubChem CID89148985
Molecular FormulaC5H8BrN
Molecular Weight162.03 g/mol
Exact Mass160.98
IUPAC Name(Z)-N-[(E)-1-bromoprop-1-enyl]ethanimine
SMILESC/C=N\C(Br)=C/C
InChIInChI=1S/C5H8BrN/c1-3-5(6)7-4-2/h3-4H,1-2H3/b5-3-,7-4-
InChIKeyXBGYOUUBKSOXJR-XDYPTIOJSA-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 (Z)-N-[(E)-1-bromoprop-1-enyl]ethanimine?
The IUPAC name of (Z)-N-[(E)-1-bromoprop-1-enyl]ethanimine (CID 89148985) is (Z)-N-[(E)-1-bromoprop-1-enyl]ethanimine.
What is the SMILES notation for (Z)-N-[(E)-1-bromoprop-1-enyl]ethanimine?
The canonical SMILES for (Z)-N-[(E)-1-bromoprop-1-enyl]ethanimine is C/C=N\C(Br)=C/C.
What is the InChIKey of (Z)-N-[(E)-1-bromoprop-1-enyl]ethanimine?
The InChIKey is XBGYOUUBKSOXJR-XDYPTIOJSA-N. The full InChI is InChI=1S/C5H8BrN/c1-3-5(6)7-4-2/h3-4H,1-2H3/b5-3-,7-4-.
What are the key properties of (Z)-N-[(E)-1-bromoprop-1-enyl]ethanimine?
(Z)-N-[(E)-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 (Z)-N-[(E)-1-bromoprop-1-enyl]ethanimine is sourced from PubChem (CID 89148985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).