methyl 2-ethenyl-6-methoxy-1-methyl-3-oxoindole-2-carboxylate

C14H15NO4 — CID 167424362

IUPACmethyl 2-ethenyl-6-methoxy-1-methyl-3-oxoindole-2-carboxylate
SMILESC=CC1(C(=O)OC)C(=O)c2ccc(OC)cc2N1C
InChIInChI=1S/C14H15NO4/c1-5-14(13(17)19-4)12(16)10-7-6-9(18-3)8-11(10)15(14)2/h5-8H,1H2,2-4H3
InChIKeyMBXYKTVXCWMYOC-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.43
Rot. Bonds3

About methyl 2-ethenyl-6-methoxy-1-methyl-3-oxoindole-2-carboxylate

methyl 2-ethenyl-6-methoxy-1-methyl-3-oxoindole-2-carboxylate (PubChem CID 167424362) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 2-ethenyl-6-methoxy-1-methyl-3-oxoindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethenyl-6-methoxy-1-methyl-3-oxoindole-2-carboxylate
PubChem CID167424362
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Namemethyl 2-ethenyl-6-methoxy-1-methyl-3-oxoindole-2-carboxylate
SMILESC=CC1(C(=O)OC)C(=O)c2ccc(OC)cc2N1C
InChIInChI=1S/C14H15NO4/c1-5-14(13(17)19-4)12(16)10-7-6-9(18-3)8-11(10)15(14)2/h5-8H,1H2,2-4H3
InChIKeyMBXYKTVXCWMYOC-UHFFFAOYSA-N
XLogP1.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethenyl-6-methoxy-1-methyl-3-oxoindole-2-carboxylate?
The IUPAC name of methyl 2-ethenyl-6-methoxy-1-methyl-3-oxoindole-2-carboxylate (CID 167424362) is methyl 2-ethenyl-6-methoxy-1-methyl-3-oxoindole-2-carboxylate.
What is the SMILES notation for methyl 2-ethenyl-6-methoxy-1-methyl-3-oxoindole-2-carboxylate?
The canonical SMILES for methyl 2-ethenyl-6-methoxy-1-methyl-3-oxoindole-2-carboxylate is C=CC1(C(=O)OC)C(=O)c2ccc(OC)cc2N1C.
What is the InChIKey of methyl 2-ethenyl-6-methoxy-1-methyl-3-oxoindole-2-carboxylate?
The InChIKey is MBXYKTVXCWMYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-5-14(13(17)19-4)12(16)10-7-6-9(18-3)8-11(10)15(14)2/h5-8H,1H2,2-4H3.
What are the key properties of methyl 2-ethenyl-6-methoxy-1-methyl-3-oxoindole-2-carboxylate?
methyl 2-ethenyl-6-methoxy-1-methyl-3-oxoindole-2-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethenyl-6-methoxy-1-methyl-3-oxoindole-2-carboxylate is sourced from PubChem (CID 167424362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).