ethyl 2-iodoimino-4-oxopentanoate

C7H10INO3 — CID 163539508

IUPACethyl 2-iodoimino-4-oxopentanoate
SMILESCCOC(=O)C(CC(C)=O)=NI
InChIInChI=1S/C7H10INO3/c1-3-12-7(11)6(9-8)4-5(2)10/h3-4H2,1-2H3
InChIKeyDZXGGSUVKGCNDD-UHFFFAOYSA-N
MW283.06 g/mol
LogP1.32
Rot. Bonds4

About ethyl 2-iodoimino-4-oxopentanoate

ethyl 2-iodoimino-4-oxopentanoate (PubChem CID 163539508) has the molecular formula C7H10INO3 and a molecular weight of 283.06 g/mol. Its IUPAC name is ethyl 2-iodoimino-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 2-iodoimino-4-oxopentanoate
PubChem CID163539508
Molecular FormulaC7H10INO3
Molecular Weight283.06 g/mol
Exact Mass282.97
IUPAC Nameethyl 2-iodoimino-4-oxopentanoate
SMILESCCOC(=O)C(CC(C)=O)=NI
InChIInChI=1S/C7H10INO3/c1-3-12-7(11)6(9-8)4-5(2)10/h3-4H2,1-2H3
InChIKeyDZXGGSUVKGCNDD-UHFFFAOYSA-N
XLogP1.32
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.06
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-iodoimino-4-oxopentanoate 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

ethyl 2-oxo(213C)propanoate
CID 71309469
chromium(2+);ethyl 3-oxobutanoate
CID 19859999
bis(ethyl 3-oxobutanoate);methane
CID 161351489
Tris(ethylacetoacetato)aluminium
CID 6333145
ethyl 3-oxobutanoate;λ2-stannane
CID 175443990
cobalt;ethyl 3-oxobutanoate
CID 87182205
silver ethyl 3-oxobutanoate
CID 158624543
CID 175796855
CID 175796855
CID 159370772
CID 159370772
ethyl 3-oxobutanoate;nitrous acid
CID 174806724
ethyl 2-methoxyimino-5,5-dimethyl-4-oxohexanoate
CID 76750210
ethyl 2-iodo-2-oxoacetate
CID 13205341

Frequently Asked Questions

What is the IUPAC name of ethyl 2-iodoimino-4-oxopentanoate?
The IUPAC name of ethyl 2-iodoimino-4-oxopentanoate (CID 163539508) is ethyl 2-iodoimino-4-oxopentanoate.
What is the SMILES notation for ethyl 2-iodoimino-4-oxopentanoate?
The canonical SMILES for ethyl 2-iodoimino-4-oxopentanoate is CCOC(=O)C(CC(C)=O)=NI.
What is the InChIKey of ethyl 2-iodoimino-4-oxopentanoate?
The InChIKey is DZXGGSUVKGCNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10INO3/c1-3-12-7(11)6(9-8)4-5(2)10/h3-4H2,1-2H3.
What are the key properties of ethyl 2-iodoimino-4-oxopentanoate?
ethyl 2-iodoimino-4-oxopentanoate has a molecular weight of 283.06 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-iodoimino-4-oxopentanoate is sourced from PubChem (CID 163539508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).