4-(methylamino)but-1-en-2-yl hypoiodite

C5H10INO — CID 142926258

IUPAC4-(methylamino)but-1-en-2-yl hypoiodite
SMILESC=C(CCNC)OI
InChIInChI=1S/C5H10INO/c1-5(8-6)3-4-7-2/h7H,1,3-4H2,2H3
InChIKeyMNKSLLQYQLAKIW-UHFFFAOYSA-N
MW227.04 g/mol
LogP1.48
Rot. Bonds4

About 4-(methylamino)but-1-en-2-yl hypoiodite

4-(methylamino)but-1-en-2-yl hypoiodite (PubChem CID 142926258) has the molecular formula C5H10INO and a molecular weight of 227.04 g/mol. Its IUPAC name is 4-(methylamino)but-1-en-2-yl hypoiodite.

Molecular Properties

Compound Name4-(methylamino)but-1-en-2-yl hypoiodite
PubChem CID142926258
Molecular FormulaC5H10INO
Molecular Weight227.04 g/mol
Exact Mass226.98
IUPAC Name4-(methylamino)but-1-en-2-yl hypoiodite
SMILESC=C(CCNC)OI
InChIInChI=1S/C5H10INO/c1-5(8-6)3-4-7-2/h7H,1,3-4H2,2H3
InChIKeyMNKSLLQYQLAKIW-UHFFFAOYSA-N
XLogP1.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.04
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)but-1-en-2-yl hypoiodite?
The IUPAC name of 4-(methylamino)but-1-en-2-yl hypoiodite (CID 142926258) is 4-(methylamino)but-1-en-2-yl hypoiodite.
What is the SMILES notation for 4-(methylamino)but-1-en-2-yl hypoiodite?
The canonical SMILES for 4-(methylamino)but-1-en-2-yl hypoiodite is C=C(CCNC)OI.
What is the InChIKey of 4-(methylamino)but-1-en-2-yl hypoiodite?
The InChIKey is MNKSLLQYQLAKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10INO/c1-5(8-6)3-4-7-2/h7H,1,3-4H2,2H3.
What are the key properties of 4-(methylamino)but-1-en-2-yl hypoiodite?
4-(methylamino)but-1-en-2-yl hypoiodite has a molecular weight of 227.04 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)but-1-en-2-yl hypoiodite is sourced from PubChem (CID 142926258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).