ethyl 2-(1-methyl-2-oxo-3H-indol-3-yl)acetate

C13H15NO3 — CID 10857346

IUPACethyl 2-(1-methyl-2-oxo-3H-indol-3-yl)acetate
SMILESCCOC(=O)CC1C(=O)N(C)c2ccccc21
InChIInChI=1S/C13H15NO3/c1-3-17-12(15)8-10-9-6-4-5-7-11(9)14(2)13(10)16/h4-7,10H,3,8H2,1-2H3
InChIKeyPXFDBIMHCCXNEC-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.70
Rot. Bonds3

About ethyl 2-(1-methyl-2-oxo-3H-indol-3-yl)acetate

ethyl 2-(1-methyl-2-oxo-3H-indol-3-yl)acetate (PubChem CID 10857346) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is ethyl 2-(1-methyl-2-oxo-3H-indol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-methyl-2-oxo-3H-indol-3-yl)acetate
PubChem CID10857346
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Nameethyl 2-(1-methyl-2-oxo-3H-indol-3-yl)acetate
SMILESCCOC(=O)CC1C(=O)N(C)c2ccccc21
InChIInChI=1S/C13H15NO3/c1-3-17-12(15)8-10-9-6-4-5-7-11(9)14(2)13(10)16/h4-7,10H,3,8H2,1-2H3
InChIKeyPXFDBIMHCCXNEC-UHFFFAOYSA-N
XLogP1.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-methyl-2-oxo-3H-indol-3-yl)acetate?
The IUPAC name of ethyl 2-(1-methyl-2-oxo-3H-indol-3-yl)acetate (CID 10857346) is ethyl 2-(1-methyl-2-oxo-3H-indol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(1-methyl-2-oxo-3H-indol-3-yl)acetate?
The canonical SMILES for ethyl 2-(1-methyl-2-oxo-3H-indol-3-yl)acetate is CCOC(=O)CC1C(=O)N(C)c2ccccc21.
What is the InChIKey of ethyl 2-(1-methyl-2-oxo-3H-indol-3-yl)acetate?
The InChIKey is PXFDBIMHCCXNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-17-12(15)8-10-9-6-4-5-7-11(9)14(2)13(10)16/h4-7,10H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(1-methyl-2-oxo-3H-indol-3-yl)acetate?
ethyl 2-(1-methyl-2-oxo-3H-indol-3-yl)acetate has a molecular weight of 233.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-methyl-2-oxo-3H-indol-3-yl)acetate is sourced from PubChem (CID 10857346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).