N-(4-hydroxybut-1-en-2-yl)carbamoyl iodide

C5H8INO2 — CID 88991928

IUPACN-(4-hydroxybut-1-en-2-yl)carbamoyl iodide
SMILESC=C(CCO)NC(=O)I
InChIInChI=1S/C5H8INO2/c1-4(2-3-8)7-5(6)9/h8H,1-3H2,(H,7,9)
InChIKeyRMRJVWHRESKAJB-UHFFFAOYSA-N
MW241.03 g/mol
LogP1.03
Rot. Bonds3

About N-(4-hydroxybut-1-en-2-yl)carbamoyl iodide

N-(4-hydroxybut-1-en-2-yl)carbamoyl iodide (PubChem CID 88991928) has the molecular formula C5H8INO2 and a molecular weight of 241.03 g/mol. Its IUPAC name is N-(4-hydroxybut-1-en-2-yl)carbamoyl iodide.

Molecular Properties

Compound NameN-(4-hydroxybut-1-en-2-yl)carbamoyl iodide
PubChem CID88991928
Molecular FormulaC5H8INO2
Molecular Weight241.03 g/mol
Exact Mass240.96
IUPAC NameN-(4-hydroxybut-1-en-2-yl)carbamoyl iodide
SMILESC=C(CCO)NC(=O)I
InChIInChI=1S/C5H8INO2/c1-4(2-3-8)7-5(6)9/h8H,1-3H2,(H,7,9)
InChIKeyRMRJVWHRESKAJB-UHFFFAOYSA-N
XLogP1.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.03
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(carboniodidoylamino)hept-6-enoic acid
CID 88991839
N-(2-hydroxyacetyl)carbamoyl iodide
CID 88991853
hex-1-en-2-ylcarbamic acid
CID 88505899
4-(carboniodidoylamino)-4-oxobutanoic acid
CID 88991894
4-hydroxy-N-(hydroxymethyl)-2-methylidenebutanamide
CID 91244020
sodium 4-hydroxy-2-methylidenebutanoate
CID 23685103
methylamino N-carboniodidoylcarbamate
CID 163815032
2-(1-iodoethenylamino)ethanol
CID 88991925
3-acetamidobut-3-enyl acetate
CID 130179468
hydroxymethyl 4-hydroxy-2-methylidenebutanoate
CID 22358531
bismuthane;3-hydroxypropanoic acid
CID 173193859
N-(acetylcarbamoyl)carbamoyl iodide
CID 163909859

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybut-1-en-2-yl)carbamoyl iodide?
The IUPAC name of N-(4-hydroxybut-1-en-2-yl)carbamoyl iodide (CID 88991928) is N-(4-hydroxybut-1-en-2-yl)carbamoyl iodide.
What is the SMILES notation for N-(4-hydroxybut-1-en-2-yl)carbamoyl iodide?
The canonical SMILES for N-(4-hydroxybut-1-en-2-yl)carbamoyl iodide is C=C(CCO)NC(=O)I.
What is the InChIKey of N-(4-hydroxybut-1-en-2-yl)carbamoyl iodide?
The InChIKey is RMRJVWHRESKAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8INO2/c1-4(2-3-8)7-5(6)9/h8H,1-3H2,(H,7,9).
What are the key properties of N-(4-hydroxybut-1-en-2-yl)carbamoyl iodide?
N-(4-hydroxybut-1-en-2-yl)carbamoyl iodide has a molecular weight of 241.03 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybut-1-en-2-yl)carbamoyl iodide is sourced from PubChem (CID 88991928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).