N-iodo-2-(propan-2-ylideneamino)acetamide

C5H9IN2O — CID 143240515

IUPACN-iodo-2-(propan-2-ylideneamino)acetamide
SMILESCC(C)=NCC(=O)NI
InChIInChI=1S/C5H9IN2O/c1-4(2)7-3-5(9)8-6/h3H2,1-2H3,(H,8,9)
InChIKeyNAWUREXTCVGGGX-UHFFFAOYSA-N
MW240.04 g/mol
LogP0.93
Rot. Bonds2

About N-iodo-2-(propan-2-ylideneamino)acetamide

N-iodo-2-(propan-2-ylideneamino)acetamide (PubChem CID 143240515) has the molecular formula C5H9IN2O and a molecular weight of 240.04 g/mol. Its IUPAC name is N-iodo-2-(propan-2-ylideneamino)acetamide.

Molecular Properties

Compound NameN-iodo-2-(propan-2-ylideneamino)acetamide
PubChem CID143240515
Molecular FormulaC5H9IN2O
Molecular Weight240.04 g/mol
Exact Mass239.98
IUPAC NameN-iodo-2-(propan-2-ylideneamino)acetamide
SMILESCC(C)=NCC(=O)NI
InChIInChI=1S/C5H9IN2O/c1-4(2)7-3-5(9)8-6/h3H2,1-2H3,(H,8,9)
InChIKeyNAWUREXTCVGGGX-UHFFFAOYSA-N
XLogP0.93
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.04
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze N-iodo-2-(propan-2-ylideneamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Propan-2-ylideneamino)propanamide
CID 55290813
2-(2-Aminoethylimino)propanamide
CID 57269019
2-(3-Methylbutan-2-ylideneamino)acetamide
CID 143595208
(2R)-2-(propan-2-ylideneamino)propanamide
CID 144775164
2-amino-N-propan-2-ylideneacetamide
CID 172487621
2-Propyliminopropanamide
CID 55289564
2-(Propan-2-ylideneamino)acetamide
CID 55289705

Frequently Asked Questions

What is the IUPAC name of N-iodo-2-(propan-2-ylideneamino)acetamide?
The IUPAC name of N-iodo-2-(propan-2-ylideneamino)acetamide (CID 143240515) is N-iodo-2-(propan-2-ylideneamino)acetamide.
What is the SMILES notation for N-iodo-2-(propan-2-ylideneamino)acetamide?
The canonical SMILES for N-iodo-2-(propan-2-ylideneamino)acetamide is CC(C)=NCC(=O)NI.
What is the InChIKey of N-iodo-2-(propan-2-ylideneamino)acetamide?
The InChIKey is NAWUREXTCVGGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9IN2O/c1-4(2)7-3-5(9)8-6/h3H2,1-2H3,(H,8,9).
What are the key properties of N-iodo-2-(propan-2-ylideneamino)acetamide?
N-iodo-2-(propan-2-ylideneamino)acetamide has a molecular weight of 240.04 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-2-(propan-2-ylideneamino)acetamide is sourced from PubChem (CID 143240515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).