2-(1-iodoethenylamino)ethanol

C4H8INO — CID 88991925

IUPAC2-(1-iodoethenylamino)ethanol
SMILESC=C(I)NCCO
InChIInChI=1S/C4H8INO/c1-4(5)6-2-3-7/h6-7H,1-3H2
InChIKeyCBADWZGQDOEJGK-UHFFFAOYSA-N
MW213.02 g/mol
LogP0.47
Rot. Bonds3

About 2-(1-iodoethenylamino)ethanol

2-(1-iodoethenylamino)ethanol (PubChem CID 88991925) has the molecular formula C4H8INO and a molecular weight of 213.02 g/mol. Its IUPAC name is 2-(1-iodoethenylamino)ethanol.

Molecular Properties

Compound Name2-(1-iodoethenylamino)ethanol
PubChem CID88991925
Molecular FormulaC4H8INO
Molecular Weight213.02 g/mol
Exact Mass212.97
IUPAC Name2-(1-iodoethenylamino)ethanol
SMILESC=C(I)NCCO
InChIInChI=1S/C4H8INO/c1-4(5)6-2-3-7/h6-7H,1-3H2
InChIKeyCBADWZGQDOEJGK-UHFFFAOYSA-N
XLogP0.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.02
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-iodoethenylamino)ethanol?
The IUPAC name of 2-(1-iodoethenylamino)ethanol (CID 88991925) is 2-(1-iodoethenylamino)ethanol.
What is the SMILES notation for 2-(1-iodoethenylamino)ethanol?
The canonical SMILES for 2-(1-iodoethenylamino)ethanol is C=C(I)NCCO.
What is the InChIKey of 2-(1-iodoethenylamino)ethanol?
The InChIKey is CBADWZGQDOEJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8INO/c1-4(5)6-2-3-7/h6-7H,1-3H2.
What are the key properties of 2-(1-iodoethenylamino)ethanol?
2-(1-iodoethenylamino)ethanol has a molecular weight of 213.02 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-iodoethenylamino)ethanol is sourced from PubChem (CID 88991925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).