methyl 6-(3-methoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate

C18H19NO4 — CID 2964931

IUPACmethyl 6-(3-methoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
SMILESCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1cccc(OC)c1)C2
InChIInChI=1S/C18H19NO4/c1-10-16-14(19-17(10)18(21)23-3)8-12(9-15(16)20)11-5-4-6-13(7-11)22-2/h4-7,12,19H,8-9H2,1-3H3
InChIKeyZNJKSOQKDWJLHL-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.03
Rot. Bonds3

About methyl 6-(3-methoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate

methyl 6-(3-methoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate (PubChem CID 2964931) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is methyl 6-(3-methoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-methoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
PubChem CID2964931
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namemethyl 6-(3-methoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
SMILESCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1cccc(OC)c1)C2
InChIInChI=1S/C18H19NO4/c1-10-16-14(19-17(10)18(21)23-3)8-12(9-15(16)20)11-5-4-6-13(7-11)22-2/h4-7,12,19H,8-9H2,1-3H3
InChIKeyZNJKSOQKDWJLHL-UHFFFAOYSA-N
XLogP3.03
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-methoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?
The IUPAC name of methyl 6-(3-methoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate (CID 2964931) is methyl 6-(3-methoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate.
What is the SMILES notation for methyl 6-(3-methoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?
The canonical SMILES for methyl 6-(3-methoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate is COC(=O)c1[nH]c2c(c1C)C(=O)CC(c1cccc(OC)c1)C2.
What is the InChIKey of methyl 6-(3-methoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?
The InChIKey is ZNJKSOQKDWJLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-10-16-14(19-17(10)18(21)23-3)8-12(9-15(16)20)11-5-4-6-13(7-11)22-2/h4-7,12,19H,8-9H2,1-3H3.
What are the key properties of methyl 6-(3-methoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?
methyl 6-(3-methoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate has a molecular weight of 313.35 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-methoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate is sourced from PubChem (CID 2964931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).