methyl 5-bromo-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate

C13H14BrNO4 — CID 156548154

IUPACmethyl 5-bromo-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate
SMILESCOC(=O)c1cc2c(cc1Br)C(C)(OC)C(=O)N2C
InChIInChI=1S/C13H14BrNO4/c1-13(19-4)8-6-9(14)7(11(16)18-3)5-10(8)15(2)12(13)17/h5-6H,1-4H3
InChIKeySYABDJMTQDQQCO-UHFFFAOYSA-N
MW328.16 g/mol
LogP2.07
Rot. Bonds2

About methyl 5-bromo-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate

methyl 5-bromo-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate (PubChem CID 156548154) has the molecular formula C13H14BrNO4 and a molecular weight of 328.16 g/mol. Its IUPAC name is methyl 5-bromo-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate
PubChem CID156548154
Molecular FormulaC13H14BrNO4
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Namemethyl 5-bromo-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate
SMILESCOC(=O)c1cc2c(cc1Br)C(C)(OC)C(=O)N2C
InChIInChI=1S/C13H14BrNO4/c1-13(19-4)8-6-9(14)7(11(16)18-3)5-10(8)15(2)12(13)17/h5-6H,1-4H3
InChIKeySYABDJMTQDQQCO-UHFFFAOYSA-N
XLogP2.07
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate?
The IUPAC name of methyl 5-bromo-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate (CID 156548154) is methyl 5-bromo-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate.
What is the SMILES notation for methyl 5-bromo-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate?
The canonical SMILES for methyl 5-bromo-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate is COC(=O)c1cc2c(cc1Br)C(C)(OC)C(=O)N2C.
What is the InChIKey of methyl 5-bromo-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate?
The InChIKey is SYABDJMTQDQQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO4/c1-13(19-4)8-6-9(14)7(11(16)18-3)5-10(8)15(2)12(13)17/h5-6H,1-4H3.
What are the key properties of methyl 5-bromo-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate?
methyl 5-bromo-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate has a molecular weight of 328.16 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate is sourced from PubChem (CID 156548154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).