ethyl 2-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-2-oxoacetate

C14H17NO4 — CID 117412342

IUPACethyl 2-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1ccc2c(c1OC)CCN2C
InChIInChI=1S/C14H17NO4/c1-4-19-14(17)12(16)10-5-6-11-9(13(10)18-3)7-8-15(11)2/h5-6H,4,7-8H2,1-3H3
InChIKeyYUZNDSJSNIQLTC-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.43
Rot. Bonds4

About ethyl 2-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-2-oxoacetate

ethyl 2-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-2-oxoacetate (PubChem CID 117412342) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is ethyl 2-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-2-oxoacetate
PubChem CID117412342
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Nameethyl 2-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1ccc2c(c1OC)CCN2C
InChIInChI=1S/C14H17NO4/c1-4-19-14(17)12(16)10-5-6-11-9(13(10)18-3)7-8-15(11)2/h5-6H,4,7-8H2,1-3H3
InChIKeyYUZNDSJSNIQLTC-UHFFFAOYSA-N
XLogP1.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoacetic acid
CID 117375678
ethyl 2-hydroxy-2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetate
CID 117447810
ethyl 2-(2-methoxy-3-methylphenyl)-2-oxoacetate
CID 117317826
2-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 84674503
ethyl 2-(4-methoxy-1H-indol-5-yl)-2-oxoacetate
CID 117369846
ethyl 2-(2-fluoro-4-hydroxy-3-methoxyphenyl)-2-oxoacetate
CID 117356979
ethyl 2-(4-methoxy-2-methyl-1H-indol-5-yl)-2-oxoacetate
CID 117406959
methyl 2-hydroxy-2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetate
CID 117417057
ethyl 2,3-dimethoxy-4-(3-oxopyrrolidin-1-yl)benzoate
CID 67937297
4-methoxy-1-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117408497
ethyl 2-(5-fluoro-2-pyrrolidin-1-ylphenyl)-2-oxoacetate
CID 117416816
ethyl 2-(4-fluoronaphthalen-1-yl)-2-oxoacetate
CID 22475340

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-2-oxoacetate?
The IUPAC name of ethyl 2-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-2-oxoacetate (CID 117412342) is ethyl 2-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-2-oxoacetate?
The canonical SMILES for ethyl 2-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-2-oxoacetate is CCOC(=O)C(=O)c1ccc2c(c1OC)CCN2C.
What is the InChIKey of ethyl 2-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-2-oxoacetate?
The InChIKey is YUZNDSJSNIQLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-4-19-14(17)12(16)10-5-6-11-9(13(10)18-3)7-8-15(11)2/h5-6H,4,7-8H2,1-3H3.
What are the key properties of ethyl 2-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-2-oxoacetate?
ethyl 2-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-2-oxoacetate has a molecular weight of 263.29 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-2-oxoacetate is sourced from PubChem (CID 117412342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).