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

C17H17NO4 — CID 51175559

IUPAC(2-methoxyphenyl) 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
SMILESCOc1ccccc1OC(=O)c1[nH]c2c(c1C)C(=O)CCC2
InChIInChI=1S/C17H17NO4/c1-10-15-11(6-5-7-12(15)19)18-16(10)17(20)22-14-9-4-3-8-13(14)21-2/h3-4,8-9,18H,5-7H2,1-2H3
InChIKeyDFWPSDMBAWNQSR-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.07
Rot. Bonds3

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

(2-methoxyphenyl) 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate (PubChem CID 51175559) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2-methoxyphenyl) 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate.

Molecular Properties

Compound Name(2-methoxyphenyl) 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
PubChem CID51175559
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name(2-methoxyphenyl) 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
SMILESCOc1ccccc1OC(=O)c1[nH]c2c(c1C)C(=O)CCC2
InChIInChI=1S/C17H17NO4/c1-10-15-11(6-5-7-12(15)19)18-16(10)17(20)22-14-9-4-3-8-13(14)21-2/h3-4,8-9,18H,5-7H2,1-2H3
InChIKeyDFWPSDMBAWNQSR-UHFFFAOYSA-N
XLogP3.07
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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

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Launch Full Analysis

Related Compounds

ethyl 4-(4-ethoxybenzyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 750102
Benzyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
CID 2992266
2-phenoxyethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 2429118
methyl 6-(3-methoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
CID 2964931
(2-methoxy-5-methylphenyl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 7626706
2-ethoxyethyl 3-methyl-4-oxo-6-phenyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
CID 17285441
methyl 6-(2,5-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
CID 3260577
2-methoxyethyl 6-(2,5-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
CID 4274895
propan-2-yl 6-(2,5-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
CID 4429890
2-methoxyethyl 6-(4-fluorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
CID 4575047
ethyl 6-(4-fluorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
CID 5134532
2-propoxyethyl 6-(2,5-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
CID 5214133

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?
The IUPAC name of (2-methoxyphenyl) 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate (CID 51175559) is (2-methoxyphenyl) 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate.
What is the SMILES notation for (2-methoxyphenyl) 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?
The canonical SMILES for (2-methoxyphenyl) 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate is COc1ccccc1OC(=O)c1[nH]c2c(c1C)C(=O)CCC2.
What is the InChIKey of (2-methoxyphenyl) 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?
The InChIKey is DFWPSDMBAWNQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-10-15-11(6-5-7-12(15)19)18-16(10)17(20)22-14-9-4-3-8-13(14)21-2/h3-4,8-9,18H,5-7H2,1-2H3.
What are the key properties of (2-methoxyphenyl) 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?
(2-methoxyphenyl) 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate is sourced from PubChem (CID 51175559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).