methyl 5-methoxy-1,3-dimethyl-4,7-dioxoindole-2-carboxylate

C13H13NO5 — CID 10777936

IUPACmethyl 5-methoxy-1,3-dimethyl-4,7-dioxoindole-2-carboxylate
SMILESCOC(=O)c1c(C)c2c(n1C)C(=O)C=C(OC)C2=O
InChIInChI=1S/C13H13NO5/c1-6-9-11(14(2)10(6)13(17)19-4)7(15)5-8(18-3)12(9)16/h5H,1-4H3
InChIKeyVODFCVKDNXFOBT-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.03
Rot. Bonds2

About methyl 5-methoxy-1,3-dimethyl-4,7-dioxoindole-2-carboxylate

methyl 5-methoxy-1,3-dimethyl-4,7-dioxoindole-2-carboxylate (PubChem CID 10777936) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is methyl 5-methoxy-1,3-dimethyl-4,7-dioxoindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-1,3-dimethyl-4,7-dioxoindole-2-carboxylate
PubChem CID10777936
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Namemethyl 5-methoxy-1,3-dimethyl-4,7-dioxoindole-2-carboxylate
SMILESCOC(=O)c1c(C)c2c(n1C)C(=O)C=C(OC)C2=O
InChIInChI=1S/C13H13NO5/c1-6-9-11(14(2)10(6)13(17)19-4)7(15)5-8(18-3)12(9)16/h5H,1-4H3
InChIKeyVODFCVKDNXFOBT-UHFFFAOYSA-N
XLogP1.03
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-1,3-dimethyl-4,7-dioxoindole-2-carboxylate?
The IUPAC name of methyl 5-methoxy-1,3-dimethyl-4,7-dioxoindole-2-carboxylate (CID 10777936) is methyl 5-methoxy-1,3-dimethyl-4,7-dioxoindole-2-carboxylate.
What is the SMILES notation for methyl 5-methoxy-1,3-dimethyl-4,7-dioxoindole-2-carboxylate?
The canonical SMILES for methyl 5-methoxy-1,3-dimethyl-4,7-dioxoindole-2-carboxylate is COC(=O)c1c(C)c2c(n1C)C(=O)C=C(OC)C2=O.
What is the InChIKey of methyl 5-methoxy-1,3-dimethyl-4,7-dioxoindole-2-carboxylate?
The InChIKey is VODFCVKDNXFOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-6-9-11(14(2)10(6)13(17)19-4)7(15)5-8(18-3)12(9)16/h5H,1-4H3.
What are the key properties of methyl 5-methoxy-1,3-dimethyl-4,7-dioxoindole-2-carboxylate?
methyl 5-methoxy-1,3-dimethyl-4,7-dioxoindole-2-carboxylate has a molecular weight of 263.25 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-1,3-dimethyl-4,7-dioxoindole-2-carboxylate is sourced from PubChem (CID 10777936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).