2-(iodoamino)propanal

C3H6INO — CID 89241681

IUPAC2-(iodoamino)propanal
SMILESCC(C=O)NI
InChIInChI=1S/C3H6INO/c1-3(2-6)5-4/h2-3,5H,1H3
InChIKeyZLKNLTQBSBOBAJ-UHFFFAOYSA-N
MW198.99 g/mol
LogP0.51
Rot. Bonds2

About 2-(iodoamino)propanal

2-(iodoamino)propanal (PubChem CID 89241681) has the molecular formula C3H6INO and a molecular weight of 198.99 g/mol. Its IUPAC name is 2-(iodoamino)propanal.

Molecular Properties

Compound Name2-(iodoamino)propanal
PubChem CID89241681
Molecular FormulaC3H6INO
Molecular Weight198.99 g/mol
Exact Mass198.95
IUPAC Name2-(iodoamino)propanal
SMILESCC(C=O)NI
InChIInChI=1S/C3H6INO/c1-3(2-6)5-4/h2-3,5H,1H3
InChIKeyZLKNLTQBSBOBAJ-UHFFFAOYSA-N
XLogP0.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.99
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(ethylamino)propanal
CID 54567079
formyl-tri(propan-2-yl)phosphanium
CID 57179383
1-oxo-2-(sulfinoamino)propane
CID 57134062
(2S)-2-(ethoxyamino)propanal
CID 173309058
2-methylpropanal;zirconium
CID 87321410
2-methylpropanal;titanium
CID 87093638
(2S)-2-fluoropropanal
CID 98007652
chloromethane;2-methylpropanal
CID 145351273
hydride;2-methylpropanal;rubidium(1+)
CID 173100636
2-hydroxy(1,2,3-13C3)propanal
CID 169442815
hydrogen peroxide;2-methylpropanal
CID 174448714
S-[(2R)-3-methylbutan-2-yl] N-(1-oxopropan-2-yl)carbamothioate
CID 143352436

Frequently Asked Questions

What is the IUPAC name of 2-(iodoamino)propanal?
The IUPAC name of 2-(iodoamino)propanal (CID 89241681) is 2-(iodoamino)propanal.
What is the SMILES notation for 2-(iodoamino)propanal?
The canonical SMILES for 2-(iodoamino)propanal is CC(C=O)NI.
What is the InChIKey of 2-(iodoamino)propanal?
The InChIKey is ZLKNLTQBSBOBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6INO/c1-3(2-6)5-4/h2-3,5H,1H3.
What are the key properties of 2-(iodoamino)propanal?
2-(iodoamino)propanal has a molecular weight of 198.99 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodoamino)propanal is sourced from PubChem (CID 89241681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).