methyl 2-(5,7-dichloro-2,3-dioxoindol-1-yl)acetate

C11H7Cl2NO4 — CID 18803788

IUPACmethyl 2-(5,7-dichloro-2,3-dioxoindol-1-yl)acetate
SMILESCOC(=O)CN1C(=O)C(=O)c2cc(Cl)cc(Cl)c21
InChIInChI=1S/C11H7Cl2NO4/c1-18-8(15)4-14-9-6(10(16)11(14)17)2-5(12)3-7(9)13/h2-3H,4H2,1H3
InChIKeyAAKXECFTINMSPT-UHFFFAOYSA-N
MW288.09 g/mol
LogP1.70
Rot. Bonds2

About methyl 2-(5,7-dichloro-2,3-dioxoindol-1-yl)acetate

methyl 2-(5,7-dichloro-2,3-dioxoindol-1-yl)acetate (PubChem CID 18803788) has the molecular formula C11H7Cl2NO4 and a molecular weight of 288.09 g/mol. Its IUPAC name is methyl 2-(5,7-dichloro-2,3-dioxoindol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5,7-dichloro-2,3-dioxoindol-1-yl)acetate
PubChem CID18803788
Molecular FormulaC11H7Cl2NO4
Molecular Weight288.09 g/mol
Exact Mass286.98
IUPAC Namemethyl 2-(5,7-dichloro-2,3-dioxoindol-1-yl)acetate
SMILESCOC(=O)CN1C(=O)C(=O)c2cc(Cl)cc(Cl)c21
InChIInChI=1S/C11H7Cl2NO4/c1-18-8(15)4-14-9-6(10(16)11(14)17)2-5(12)3-7(9)13/h2-3H,4H2,1H3
InChIKeyAAKXECFTINMSPT-UHFFFAOYSA-N
XLogP1.70
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-(5,7-dichloro-2,3-dioxoindol-1-yl)acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5,7-dichloro-2,3-dioxoindol-1-yl)acetate?
The IUPAC name of methyl 2-(5,7-dichloro-2,3-dioxoindol-1-yl)acetate (CID 18803788) is methyl 2-(5,7-dichloro-2,3-dioxoindol-1-yl)acetate.
What is the SMILES notation for methyl 2-(5,7-dichloro-2,3-dioxoindol-1-yl)acetate?
The canonical SMILES for methyl 2-(5,7-dichloro-2,3-dioxoindol-1-yl)acetate is COC(=O)CN1C(=O)C(=O)c2cc(Cl)cc(Cl)c21.
What is the InChIKey of methyl 2-(5,7-dichloro-2,3-dioxoindol-1-yl)acetate?
The InChIKey is AAKXECFTINMSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO4/c1-18-8(15)4-14-9-6(10(16)11(14)17)2-5(12)3-7(9)13/h2-3H,4H2,1H3.
What are the key properties of methyl 2-(5,7-dichloro-2,3-dioxoindol-1-yl)acetate?
methyl 2-(5,7-dichloro-2,3-dioxoindol-1-yl)acetate has a molecular weight of 288.09 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5,7-dichloro-2,3-dioxoindol-1-yl)acetate is sourced from PubChem (CID 18803788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).