N'-[(E)-2-bromoethenyl]-N-methylideneethanimidamide

C5H7BrN2 — CID 89335520

IUPACN'-[(E)-2-bromoethenyl]-N-methylideneethanimidamide
SMILESC=N/C(C)=N/C=C/Br
InChIInChI=1S/C5H7BrN2/c1-5(7-2)8-4-3-6/h3-4H,2H2,1H3/b4-3+,8-5+
InChIKeySOTYCDHVQKZAAZ-SALQQRKASA-N
MW175.03 g/mol
LogP1.97
Rot. Bonds1

About N'-[(E)-2-bromoethenyl]-N-methylideneethanimidamide

N'-[(E)-2-bromoethenyl]-N-methylideneethanimidamide (PubChem CID 89335520) has the molecular formula C5H7BrN2 and a molecular weight of 175.03 g/mol. Its IUPAC name is N'-[(E)-2-bromoethenyl]-N-methylideneethanimidamide.

Molecular Properties

Compound NameN'-[(E)-2-bromoethenyl]-N-methylideneethanimidamide
PubChem CID89335520
Molecular FormulaC5H7BrN2
Molecular Weight175.03 g/mol
Exact Mass173.98
IUPAC NameN'-[(E)-2-bromoethenyl]-N-methylideneethanimidamide
SMILESC=N/C(C)=N/C=C/Br
InChIInChI=1S/C5H7BrN2/c1-5(7-2)8-4-3-6/h3-4H,2H2,1H3/b4-3+,8-5+
InChIKeySOTYCDHVQKZAAZ-SALQQRKASA-N
XLogP1.97
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.03
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-bromoethenyl]-N-methylideneethanimidamide?
The IUPAC name of N'-[(E)-2-bromoethenyl]-N-methylideneethanimidamide (CID 89335520) is N'-[(E)-2-bromoethenyl]-N-methylideneethanimidamide.
What is the SMILES notation for N'-[(E)-2-bromoethenyl]-N-methylideneethanimidamide?
The canonical SMILES for N'-[(E)-2-bromoethenyl]-N-methylideneethanimidamide is C=N/C(C)=N/C=C/Br.
What is the InChIKey of N'-[(E)-2-bromoethenyl]-N-methylideneethanimidamide?
The InChIKey is SOTYCDHVQKZAAZ-SALQQRKASA-N. The full InChI is InChI=1S/C5H7BrN2/c1-5(7-2)8-4-3-6/h3-4H,2H2,1H3/b4-3+,8-5+.
What are the key properties of N'-[(E)-2-bromoethenyl]-N-methylideneethanimidamide?
N'-[(E)-2-bromoethenyl]-N-methylideneethanimidamide has a molecular weight of 175.03 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-bromoethenyl]-N-methylideneethanimidamide is sourced from PubChem (CID 89335520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).