ethyl 2-(5-methoxy-1-methylindol-3-yl)-2-oxoacetate

C14H15NO4 — CID 23315285

IUPACethyl 2-(5-methoxy-1-methylindol-3-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1cn(C)c2ccc(OC)cc12
InChIInChI=1S/C14H15NO4/c1-4-19-14(17)13(16)11-8-15(2)12-6-5-9(18-3)7-10(11)12/h5-8H,4H2,1-3H3
InChIKeyLUMDPKBMQCXCKU-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.93
Rot. Bonds4

About ethyl 2-(5-methoxy-1-methylindol-3-yl)-2-oxoacetate

ethyl 2-(5-methoxy-1-methylindol-3-yl)-2-oxoacetate (PubChem CID 23315285) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 2-(5-methoxy-1-methylindol-3-yl)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(5-methoxy-1-methylindol-3-yl)-2-oxoacetate
PubChem CID23315285
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Nameethyl 2-(5-methoxy-1-methylindol-3-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1cn(C)c2ccc(OC)cc12
InChIInChI=1S/C14H15NO4/c1-4-19-14(17)13(16)11-8-15(2)12-6-5-9(18-3)7-10(11)12/h5-8H,4H2,1-3H3
InChIKeyLUMDPKBMQCXCKU-UHFFFAOYSA-N
XLogP1.93
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methoxy-1-methylindol-3-yl)-2-oxoacetate?
The IUPAC name of ethyl 2-(5-methoxy-1-methylindol-3-yl)-2-oxoacetate (CID 23315285) is ethyl 2-(5-methoxy-1-methylindol-3-yl)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(5-methoxy-1-methylindol-3-yl)-2-oxoacetate?
The canonical SMILES for ethyl 2-(5-methoxy-1-methylindol-3-yl)-2-oxoacetate is CCOC(=O)C(=O)c1cn(C)c2ccc(OC)cc12.
What is the InChIKey of ethyl 2-(5-methoxy-1-methylindol-3-yl)-2-oxoacetate?
The InChIKey is LUMDPKBMQCXCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-4-19-14(17)13(16)11-8-15(2)12-6-5-9(18-3)7-10(11)12/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 2-(5-methoxy-1-methylindol-3-yl)-2-oxoacetate?
ethyl 2-(5-methoxy-1-methylindol-3-yl)-2-oxoacetate has a molecular weight of 261.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methoxy-1-methylindol-3-yl)-2-oxoacetate is sourced from PubChem (CID 23315285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).