1-(iodoamino)butan-2-one

C4H8INO — CID 147536342

IUPAC1-(iodoamino)butan-2-one
SMILESCCC(=O)CNI
InChIInChI=1S/C4H8INO/c1-2-4(7)3-6-5/h6H,2-3H2,1H3
InChIKeyFOARAZBWNUUVFY-UHFFFAOYSA-N
MW213.02 g/mol
LogP0.91
Rot. Bonds3

About 1-(iodoamino)butan-2-one

1-(iodoamino)butan-2-one (PubChem CID 147536342) has the molecular formula C4H8INO and a molecular weight of 213.02 g/mol. Its IUPAC name is 1-(iodoamino)butan-2-one.

Molecular Properties

Compound Name1-(iodoamino)butan-2-one
PubChem CID147536342
Molecular FormulaC4H8INO
Molecular Weight213.02 g/mol
Exact Mass212.97
IUPAC Name1-(iodoamino)butan-2-one
SMILESCCC(=O)CNI
InChIInChI=1S/C4H8INO/c1-2-4(7)3-6-5/h6H,2-3H2,1H3
InChIKeyFOARAZBWNUUVFY-UHFFFAOYSA-N
XLogP0.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.02
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-oxobutylcarbamic acid
CID 87278919
pentan-3-one;trihydrochloride
CID 172711203
hydrogen peroxide;pentan-3-one
CID 18361632
ethane;1-(propan-2-ylamino)butan-2-one
CID 176992456
N-(2-oxobutyl)ethanesulfonamide
CID 134302235
3-oxo-4-(2-oxobutylamino)butanamide
CID 135274363
2-oxo-N-(2-oxobutyl)acetamide
CID 22335308
2-(methylamino)-N-[2-oxo-2-(2-oxobutylamino)ethyl]acetamide
CID 175620098
2,3-dimethyl-N-(2-oxobutyl)but-2-enamide
CID 91262324
2-(ethylamino)-3-methyl-N-(2-oxobutyl)butanamide
CID 155432667
3,3-dimethyl-N-(2-oxobutyl)butanamide
CID 149102417
hexane-2,4-dione;platinum
CID 161447923

Frequently Asked Questions

What is the IUPAC name of 1-(iodoamino)butan-2-one?
The IUPAC name of 1-(iodoamino)butan-2-one (CID 147536342) is 1-(iodoamino)butan-2-one.
What is the SMILES notation for 1-(iodoamino)butan-2-one?
The canonical SMILES for 1-(iodoamino)butan-2-one is CCC(=O)CNI.
What is the InChIKey of 1-(iodoamino)butan-2-one?
The InChIKey is FOARAZBWNUUVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8INO/c1-2-4(7)3-6-5/h6H,2-3H2,1H3.
What are the key properties of 1-(iodoamino)butan-2-one?
1-(iodoamino)butan-2-one has a molecular weight of 213.02 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodoamino)butan-2-one is sourced from PubChem (CID 147536342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).