2-iodobut-2-enamide

C4H6INO — CID 174630742

IUPAC2-iodobut-2-enamide
SMILESCC=C(I)C(N)=O
InChIInChI=1S/C4H6INO/c1-2-3(5)4(6)7/h2H,1H3,(H2,6,7)
InChIKeyPPMDRINGKKSYIS-UHFFFAOYSA-N
MW211.00 g/mol
LogP0.81
Rot. Bonds1

About 2-iodobut-2-enamide

2-iodobut-2-enamide (PubChem CID 174630742) has the molecular formula C4H6INO and a molecular weight of 211.00 g/mol. Its IUPAC name is 2-iodobut-2-enamide.

Molecular Properties

Compound Name2-iodobut-2-enamide
PubChem CID174630742
Molecular FormulaC4H6INO
Molecular Weight211.00 g/mol
Exact Mass210.95
IUPAC Name2-iodobut-2-enamide
SMILESCC=C(I)C(N)=O
InChIInChI=1S/C4H6INO/c1-2-3(5)4(6)7/h2H,1H3,(H2,6,7)
InChIKeyPPMDRINGKKSYIS-UHFFFAOYSA-N
XLogP0.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.00
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-iodoprop-1-en-1-amine
CID 141312363
methyl (Z)-2-iodobut-2-enoate
CID 11506856
[(E)-1-iodoprop-1-enyl] carbamate
CID 87920039
2-hydroxybut-2-enamide;hydrochloride
CID 177282590
but-2-en-2-ol;urea
CID 173334764
(E)-prop-1-en-1-ol;urea
CID 87083567
carbonic acid;oxamic acid
CID 87882042
2-(dimethylamino)but-2-enamide;hydrochloride
CID 160636398
(E)-2-cyanobut-2-enamide
CID 88621085
(Z)-2-(ethanethioylamino)but-2-enamide
CID 163469641
carbamothioic S-acid;prop-1-ene
CID 87430768
prop-1-ene-1,1,2-tricarboxamide
CID 155668965

Frequently Asked Questions

What is the IUPAC name of 2-iodobut-2-enamide?
The IUPAC name of 2-iodobut-2-enamide (CID 174630742) is 2-iodobut-2-enamide.
What is the SMILES notation for 2-iodobut-2-enamide?
The canonical SMILES for 2-iodobut-2-enamide is CC=C(I)C(N)=O.
What is the InChIKey of 2-iodobut-2-enamide?
The InChIKey is PPMDRINGKKSYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6INO/c1-2-3(5)4(6)7/h2H,1H3,(H2,6,7).
What are the key properties of 2-iodobut-2-enamide?
2-iodobut-2-enamide has a molecular weight of 211.00 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodobut-2-enamide is sourced from PubChem (CID 174630742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).