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'}

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Related Compounds

methyl 2-(5,7-dibromo-2,3-dioxoindol-1-yl)acetate
CID 4730340
methyl 2-(7-bromo-2,3-dioxoindol-1-yl)acetate
CID 61355610
5,7-dichloro-1-[2-(dimethylamino)ethyl]indole-2,3-dione
CID 139629783
5,7-dichloro-1-[2-(3,5-dichlorophenoxy)ethyl]indole-2,3-dione
CID 18803804
methyl 2-(4-chloro-2,3-dioxoindol-1-yl)acetate
CID 61359306
5,7-dichloro-1-[2-(4-methylphenoxy)ethyl]indole-2,3-dione
CID 18803792
methyl 2-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)acetate
CID 11368729
(4-chloro-2,6-dimethylphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 8914024
5,7-dichloro-1-[2-(3-methylphenoxy)ethyl]indole-2,3-dione
CID 18803791
7-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione
CID 61355997
methyl 4-(6-chloro-2,3-dioxoindol-1-yl)butanoate
CID 55138801
propan-2-yl 2-(4,7-dichloro-2,3-dioxoindol-1-yl)acetate
CID 106988552

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).