ethyl 2-imino-2-(4-iodophenyl)acetate

C10H10INO2 — CID 146651641

IUPACethyl 2-imino-2-(4-iodophenyl)acetate
SMILES[H]/N=C(\C(=O)OCC)c1ccc(I)cc1
InChIInChI=1S/C10H10INO2/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,12H,2H2,1H3/b12-9-
InChIKeyBBEUOQYXYJJVLA-XFXZXTDPSA-N
MW303.10 g/mol
LogP2.22
Rot. Bonds3

About ethyl 2-imino-2-(4-iodophenyl)acetate

ethyl 2-imino-2-(4-iodophenyl)acetate (PubChem CID 146651641) has the molecular formula C10H10INO2 and a molecular weight of 303.10 g/mol. Its IUPAC name is ethyl 2-imino-2-(4-iodophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-imino-2-(4-iodophenyl)acetate
PubChem CID146651641
Molecular FormulaC10H10INO2
Molecular Weight303.10 g/mol
Exact Mass302.98
IUPAC Nameethyl 2-imino-2-(4-iodophenyl)acetate
SMILES[H]/N=C(\C(=O)OCC)c1ccc(I)cc1
InChIInChI=1S/C10H10INO2/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,12H,2H2,1H3/b12-9-
InChIKeyBBEUOQYXYJJVLA-XFXZXTDPSA-N
XLogP2.22
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.10
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-imino-2-(4-iodophenyl)acetate 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-(4-iodophenyl)buta-2,3-dienoate
CID 149161501
ethyl 4-(4-iodophenyl)-4-oxobut-2-enoate
CID 152843562
ethyl (3S)-5-(4-iodophenyl)-2,5-dioxo-3-phenylpentanoate
CID 102313107
ethyl 2-(2-amino-5-bromophenyl)-2-iminoacetate
CID 142835798
ethyl 2-(5-chloro-2-hydroxyphenyl)-2-iminoacetate
CID 169171167
ethyl 3-hydroxy-3-(4-iodophenyl)prop-2-enoate
CID 170922843
ethyl 3-(2-bromophenyl)-2-(4-fluorobenzenecarboximidoyl)-3-hydroxyprop-2-enoate
CID 173103255
ethyl 2-imino-2-[2-methyl-5-(trifluoromethyl)phenyl]acetate
CID 142411252
ethyl 2-amino-2-iminoacetate
CID 19017716
ethyl 4-[(4-iodobenzoyl)amino]benzoate
CID 1372273
ethyl 6-iodonaphthalene-2-carboxylate
CID 58151998
2-methylbutyl 4-iodobenzoate
CID 71343005

Frequently Asked Questions

What is the IUPAC name of ethyl 2-imino-2-(4-iodophenyl)acetate?
The IUPAC name of ethyl 2-imino-2-(4-iodophenyl)acetate (CID 146651641) is ethyl 2-imino-2-(4-iodophenyl)acetate.
What is the SMILES notation for ethyl 2-imino-2-(4-iodophenyl)acetate?
The canonical SMILES for ethyl 2-imino-2-(4-iodophenyl)acetate is [H]/N=C(\C(=O)OCC)c1ccc(I)cc1.
What is the InChIKey of ethyl 2-imino-2-(4-iodophenyl)acetate?
The InChIKey is BBEUOQYXYJJVLA-XFXZXTDPSA-N. The full InChI is InChI=1S/C10H10INO2/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,12H,2H2,1H3/b12-9-.
What are the key properties of ethyl 2-imino-2-(4-iodophenyl)acetate?
ethyl 2-imino-2-(4-iodophenyl)acetate has a molecular weight of 303.10 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-imino-2-(4-iodophenyl)acetate is sourced from PubChem (CID 146651641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).