N-ethenyl-N'-iodoethanimidamide

C4H7IN2 — CID 154530145

IUPACN-ethenyl-N'-iodoethanimidamide
SMILESC=CNC(C)=NI
InChIInChI=1S/C4H7IN2/c1-3-6-4(2)7-5/h3H,1H2,2H3,(H,6,7)
InChIKeyBJQNPNUJPLJREX-UHFFFAOYSA-N
MW210.02 g/mol
LogP1.49
Rot. Bonds1

About N-ethenyl-N'-iodoethanimidamide

N-ethenyl-N'-iodoethanimidamide (PubChem CID 154530145) has the molecular formula C4H7IN2 and a molecular weight of 210.02 g/mol. Its IUPAC name is N-ethenyl-N'-iodoethanimidamide.

Molecular Properties

Compound NameN-ethenyl-N'-iodoethanimidamide
PubChem CID154530145
Molecular FormulaC4H7IN2
Molecular Weight210.02 g/mol
Exact Mass209.97
IUPAC NameN-ethenyl-N'-iodoethanimidamide
SMILESC=CNC(C)=NI
InChIInChI=1S/C4H7IN2/c1-3-6-4(2)7-5/h3H,1H2,2H3,(H,6,7)
InChIKeyBJQNPNUJPLJREX-UHFFFAOYSA-N
XLogP1.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.02
LogP ≤ 51.49
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': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N'-iodoethanimidamide?
The IUPAC name of N-ethenyl-N'-iodoethanimidamide (CID 154530145) is N-ethenyl-N'-iodoethanimidamide.
What is the SMILES notation for N-ethenyl-N'-iodoethanimidamide?
The canonical SMILES for N-ethenyl-N'-iodoethanimidamide is C=CNC(C)=NI.
What is the InChIKey of N-ethenyl-N'-iodoethanimidamide?
The InChIKey is BJQNPNUJPLJREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7IN2/c1-3-6-4(2)7-5/h3H,1H2,2H3,(H,6,7).
What are the key properties of N-ethenyl-N'-iodoethanimidamide?
N-ethenyl-N'-iodoethanimidamide has a molecular weight of 210.02 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-iodoethanimidamide is sourced from PubChem (CID 154530145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).