N-ethenyl-N'-methylcarbamimidoyl bromide

C4H7BrN2 — CID 142529780

IUPACN-ethenyl-N'-methylcarbamimidoyl bromide
SMILESC=CN/C(Br)=N/C
InChIInChI=1S/C4H7BrN2/c1-3-7-4(5)6-2/h3H,1H2,2H3,(H,6,7)
InChIKeyPOEQGGQCFLKRLN-UHFFFAOYSA-N
MW163.02 g/mol
LogP1.10
Rot. Bonds1

About N-ethenyl-N'-methylcarbamimidoyl bromide

N-ethenyl-N'-methylcarbamimidoyl bromide (PubChem CID 142529780) has the molecular formula C4H7BrN2 and a molecular weight of 163.02 g/mol. Its IUPAC name is N-ethenyl-N'-methylcarbamimidoyl bromide.

Molecular Properties

Compound NameN-ethenyl-N'-methylcarbamimidoyl bromide
PubChem CID142529780
Molecular FormulaC4H7BrN2
Molecular Weight163.02 g/mol
Exact Mass161.98
IUPAC NameN-ethenyl-N'-methylcarbamimidoyl bromide
SMILESC=CN/C(Br)=N/C
InChIInChI=1S/C4H7BrN2/c1-3-7-4(5)6-2/h3H,1H2,2H3,(H,6,7)
InChIKeyPOEQGGQCFLKRLN-UHFFFAOYSA-N
XLogP1.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.02
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-ethenyl-N'-methyl-2-oxoethanimidamide
CID 142130799
2-(ethenylamino)-2-methyliminoacetyl chloride
CID 123840567
(Z)-3-amino-N-ethenyl-N'-methylprop-2-enimidamide
CID 89191764
N-ethenyl-N'-iodoethanimidamide
CID 154530145
(E)-N-ethenyl-1-(methylideneamino)prop-1-en-2-amine
CID 156715477
CID 174103042
CID 174103042
N'-(1-bromoethyl)-N-ethenylcarbamimidoyl chloride
CID 174002011
1-ethenyl-3-ethylideneurea
CID 140971164
ethane;N-methylethenamine
CID 143349321
N'-[(1Z,3E)-2,3-dimethylhexa-1,3,5-trienyl]-N-ethenylethanimidamide
CID 134214435
ethane;N-ethenylprop-2-enethioamide
CID 156639581
(2E)-2-bromo-N-methylpenta-2,4-dienimidoyl fluoride
CID 143998340

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N'-methylcarbamimidoyl bromide?
The IUPAC name of N-ethenyl-N'-methylcarbamimidoyl bromide (CID 142529780) is N-ethenyl-N'-methylcarbamimidoyl bromide.
What is the SMILES notation for N-ethenyl-N'-methylcarbamimidoyl bromide?
The canonical SMILES for N-ethenyl-N'-methylcarbamimidoyl bromide is C=CN/C(Br)=N/C.
What is the InChIKey of N-ethenyl-N'-methylcarbamimidoyl bromide?
The InChIKey is POEQGGQCFLKRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7BrN2/c1-3-7-4(5)6-2/h3H,1H2,2H3,(H,6,7).
What are the key properties of N-ethenyl-N'-methylcarbamimidoyl bromide?
N-ethenyl-N'-methylcarbamimidoyl bromide has a molecular weight of 163.02 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-methylcarbamimidoyl bromide is sourced from PubChem (CID 142529780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).