(E)-3-iodo-N-methylbut-2-enimidoyl chloride

C5H7ClIN — CID 166833673

IUPAC(E)-3-iodo-N-methylbut-2-enimidoyl chloride
SMILESC/N=C(Cl)/C=C(\C)I
InChIInChI=1S/C5H7ClIN/c1-4(7)3-5(6)8-2/h3H,1-2H3/b4-3+,8-5-
InChIKeyMCTLATXJVLKYTG-LHOHZTISSA-N
MW243.47 g/mol
LogP2.59
Rot. Bonds1

About (E)-3-iodo-N-methylbut-2-enimidoyl chloride

(E)-3-iodo-N-methylbut-2-enimidoyl chloride (PubChem CID 166833673) has the molecular formula C5H7ClIN and a molecular weight of 243.47 g/mol. Its IUPAC name is (E)-3-iodo-N-methylbut-2-enimidoyl chloride.

Molecular Properties

Compound Name(E)-3-iodo-N-methylbut-2-enimidoyl chloride
PubChem CID166833673
Molecular FormulaC5H7ClIN
Molecular Weight243.47 g/mol
Exact Mass242.93
IUPAC Name(E)-3-iodo-N-methylbut-2-enimidoyl chloride
SMILESC/N=C(Cl)/C=C(\C)I
InChIInChI=1S/C5H7ClIN/c1-4(7)3-5(6)8-2/h3H,1-2H3/b4-3+,8-5-
InChIKeyMCTLATXJVLKYTG-LHOHZTISSA-N
XLogP2.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.47
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-iodo-N-methylbut-2-enimidoyl chloride?
The IUPAC name of (E)-3-iodo-N-methylbut-2-enimidoyl chloride (CID 166833673) is (E)-3-iodo-N-methylbut-2-enimidoyl chloride.
What is the SMILES notation for (E)-3-iodo-N-methylbut-2-enimidoyl chloride?
The canonical SMILES for (E)-3-iodo-N-methylbut-2-enimidoyl chloride is C/N=C(Cl)/C=C(\C)I.
What is the InChIKey of (E)-3-iodo-N-methylbut-2-enimidoyl chloride?
The InChIKey is MCTLATXJVLKYTG-LHOHZTISSA-N. The full InChI is InChI=1S/C5H7ClIN/c1-4(7)3-5(6)8-2/h3H,1-2H3/b4-3+,8-5-.
What are the key properties of (E)-3-iodo-N-methylbut-2-enimidoyl chloride?
(E)-3-iodo-N-methylbut-2-enimidoyl chloride has a molecular weight of 243.47 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-iodo-N-methylbut-2-enimidoyl chloride is sourced from PubChem (CID 166833673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).