N-[(E)-3-bromoprop-2-enyl]formamide

C4H6BrNO — CID 118928810

IUPACN-[(E)-3-bromoprop-2-enyl]formamide
SMILESO=CNC/C=C/Br
InChIInChI=1S/C4H6BrNO/c5-2-1-3-6-4-7/h1-2,4H,3H2,(H,6,7)/b2-1+
InChIKeyYAFFCZCXYOEIJD-OWOJBTEDSA-N
MW164.00 g/mol
LogP0.64
Rot. Bonds3

About N-[(E)-3-bromoprop-2-enyl]formamide

N-[(E)-3-bromoprop-2-enyl]formamide (PubChem CID 118928810) has the molecular formula C4H6BrNO and a molecular weight of 164.00 g/mol. Its IUPAC name is N-[(E)-3-bromoprop-2-enyl]formamide.

Molecular Properties

Compound NameN-[(E)-3-bromoprop-2-enyl]formamide
PubChem CID118928810
Molecular FormulaC4H6BrNO
Molecular Weight164.00 g/mol
Exact Mass162.96
IUPAC NameN-[(E)-3-bromoprop-2-enyl]formamide
SMILESO=CNC/C=C/Br
InChIInChI=1S/C4H6BrNO/c5-2-1-3-6-4-7/h1-2,4H,3H2,(H,6,7)/b2-1+
InChIKeyYAFFCZCXYOEIJD-OWOJBTEDSA-N
XLogP0.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.00
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-bromoprop-2-enyl]formamide?
The IUPAC name of N-[(E)-3-bromoprop-2-enyl]formamide (CID 118928810) is N-[(E)-3-bromoprop-2-enyl]formamide.
What is the SMILES notation for N-[(E)-3-bromoprop-2-enyl]formamide?
The canonical SMILES for N-[(E)-3-bromoprop-2-enyl]formamide is O=CNC/C=C/Br.
What is the InChIKey of N-[(E)-3-bromoprop-2-enyl]formamide?
The InChIKey is YAFFCZCXYOEIJD-OWOJBTEDSA-N. The full InChI is InChI=1S/C4H6BrNO/c5-2-1-3-6-4-7/h1-2,4H,3H2,(H,6,7)/b2-1+.
What are the key properties of N-[(E)-3-bromoprop-2-enyl]formamide?
N-[(E)-3-bromoprop-2-enyl]formamide has a molecular weight of 164.00 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-bromoprop-2-enyl]formamide is sourced from PubChem (CID 118928810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).