methyl 1-methyl-2,3-dioxoindole-5-carboxylate

C11H9NO4 — CID 515952

IUPACmethyl 1-methyl-2,3-dioxoindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(=O)C(=O)N2C
InChIInChI=1S/C11H9NO4/c1-12-8-4-3-6(11(15)16-2)5-7(8)9(13)10(12)14/h3-5H,1-2H3
InChIKeyHENVEYFKOOGIOO-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.63
Rot. Bonds1

About methyl 1-methyl-2,3-dioxoindole-5-carboxylate

methyl 1-methyl-2,3-dioxoindole-5-carboxylate (PubChem CID 515952) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is methyl 1-methyl-2,3-dioxoindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-2,3-dioxoindole-5-carboxylate
PubChem CID515952
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Namemethyl 1-methyl-2,3-dioxoindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(=O)C(=O)N2C
InChIInChI=1S/C11H9NO4/c1-12-8-4-3-6(11(15)16-2)5-7(8)9(13)10(12)14/h3-5H,1-2H3
InChIKeyHENVEYFKOOGIOO-UHFFFAOYSA-N
XLogP0.63
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.63
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 2,3-dioxoindoline-7-carboxylate
CID 1946733
1-Methyl-2,3-dioxoindoline-5-carboxylic acid
CID 515951
methyl 2,3-dihydro-1H-indole-5-carboxylate
CID 21782110
Methyl 1,3,3-trimethyl-2-methylidene-2,3-dihydro-1H-indole-5-carboxylate
CID 15145785
2,3-dioxo-2,3-dihydro-1H-indole-5-carboxylic acid
CID 3265762
1-acetyl-2,3-dihydro-1H-indole-5-carboxylic acid
CID 5295547
4-Hydroxy-2-methyl-3-pyrrolidin-1-ylmethyl-quinoline-6-carboxylic acid methyl ester
CID 647468
methyl (E)-3-[1-[(3,5-dimethylphenyl)methyl]-2,3-dioxoindol-5-yl]prop-2-enoate
CID 73212286
methyl (E)-3-(1-methyl-2,3-dioxoindol-5-yl)prop-2-enoate
CID 73213398
methyl (E)-3-(1-ethyl-2,3-dioxoindol-5-yl)prop-2-enoate
CID 73213399
methyl (E)-3-(1-benzyl-2,3-dioxoindol-5-yl)prop-2-enoate
CID 73213400
Ethyl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
CID 478657

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-2,3-dioxoindole-5-carboxylate?
The IUPAC name of methyl 1-methyl-2,3-dioxoindole-5-carboxylate (CID 515952) is methyl 1-methyl-2,3-dioxoindole-5-carboxylate.
What is the SMILES notation for methyl 1-methyl-2,3-dioxoindole-5-carboxylate?
The canonical SMILES for methyl 1-methyl-2,3-dioxoindole-5-carboxylate is COC(=O)c1ccc2c(c1)C(=O)C(=O)N2C.
What is the InChIKey of methyl 1-methyl-2,3-dioxoindole-5-carboxylate?
The InChIKey is HENVEYFKOOGIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c1-12-8-4-3-6(11(15)16-2)5-7(8)9(13)10(12)14/h3-5H,1-2H3.
What are the key properties of methyl 1-methyl-2,3-dioxoindole-5-carboxylate?
methyl 1-methyl-2,3-dioxoindole-5-carboxylate has a molecular weight of 219.20 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-2,3-dioxoindole-5-carboxylate is sourced from PubChem (CID 515952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).