N'-ethenyl-N-iodo-N-methylmethanimidamide

C4H7IN2 — CID 155153689

IUPACN'-ethenyl-N-iodo-N-methylmethanimidamide
SMILESC=C/N=C/N(C)I
InChIInChI=1S/C4H7IN2/c1-3-6-4-7(2)5/h3-4H,1H2,2H3/b6-4+
InChIKeyMNYZPBYNAAPKMA-GQCTYLIASA-N
MW210.02 g/mol
LogP1.44
Rot. Bonds2

About N'-ethenyl-N-iodo-N-methylmethanimidamide

N'-ethenyl-N-iodo-N-methylmethanimidamide (PubChem CID 155153689) has the molecular formula C4H7IN2 and a molecular weight of 210.02 g/mol. Its IUPAC name is N'-ethenyl-N-iodo-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-ethenyl-N-iodo-N-methylmethanimidamide
PubChem CID155153689
Molecular FormulaC4H7IN2
Molecular Weight210.02 g/mol
Exact Mass209.97
IUPAC NameN'-ethenyl-N-iodo-N-methylmethanimidamide
SMILESC=C/N=C/N(C)I
InChIInChI=1S/C4H7IN2/c1-3-6-4-7(2)5/h3-4H,1H2,2H3/b6-4+
InChIKeyMNYZPBYNAAPKMA-GQCTYLIASA-N
XLogP1.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.02
LogP ≤ 51.44
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N-iodo-N-methylmethanimidamide?
The IUPAC name of N'-ethenyl-N-iodo-N-methylmethanimidamide (CID 155153689) is N'-ethenyl-N-iodo-N-methylmethanimidamide.
What is the SMILES notation for N'-ethenyl-N-iodo-N-methylmethanimidamide?
The canonical SMILES for N'-ethenyl-N-iodo-N-methylmethanimidamide is C=C/N=C/N(C)I.
What is the InChIKey of N'-ethenyl-N-iodo-N-methylmethanimidamide?
The InChIKey is MNYZPBYNAAPKMA-GQCTYLIASA-N. The full InChI is InChI=1S/C4H7IN2/c1-3-6-4-7(2)5/h3-4H,1H2,2H3/b6-4+.
What are the key properties of N'-ethenyl-N-iodo-N-methylmethanimidamide?
N'-ethenyl-N-iodo-N-methylmethanimidamide has a molecular weight of 210.02 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-iodo-N-methylmethanimidamide is sourced from PubChem (CID 155153689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).