methyl 3-(1-methyl-2-oxo-3H-indol-3-yl)propanoate

C13H15NO3 — CID 14956192

IUPACmethyl 3-(1-methyl-2-oxo-3H-indol-3-yl)propanoate
SMILESCOC(=O)CCC1C(=O)N(C)c2ccccc21
InChIInChI=1S/C13H15NO3/c1-14-11-6-4-3-5-9(11)10(13(14)16)7-8-12(15)17-2/h3-6,10H,7-8H2,1-2H3
InChIKeyUYGLBLLFWGZAHJ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.70
Rot. Bonds3

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

methyl 3-(1-methyl-2-oxo-3H-indol-3-yl)propanoate (PubChem CID 14956192) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 3-(1-methyl-2-oxo-3H-indol-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(1-methyl-2-oxo-3H-indol-3-yl)propanoate
PubChem CID14956192
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namemethyl 3-(1-methyl-2-oxo-3H-indol-3-yl)propanoate
SMILESCOC(=O)CCC1C(=O)N(C)c2ccccc21
InChIInChI=1S/C13H15NO3/c1-14-11-6-4-3-5-9(11)10(13(14)16)7-8-12(15)17-2/h3-6,10H,7-8H2,1-2H3
InChIKeyUYGLBLLFWGZAHJ-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 methyl 3-(1-methyl-2-oxo-3H-indol-3-yl)propanoate?
The IUPAC name of methyl 3-(1-methyl-2-oxo-3H-indol-3-yl)propanoate (CID 14956192) is methyl 3-(1-methyl-2-oxo-3H-indol-3-yl)propanoate.
What is the SMILES notation for methyl 3-(1-methyl-2-oxo-3H-indol-3-yl)propanoate?
The canonical SMILES for methyl 3-(1-methyl-2-oxo-3H-indol-3-yl)propanoate is COC(=O)CCC1C(=O)N(C)c2ccccc21.
What is the InChIKey of methyl 3-(1-methyl-2-oxo-3H-indol-3-yl)propanoate?
The InChIKey is UYGLBLLFWGZAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-14-11-6-4-3-5-9(11)10(13(14)16)7-8-12(15)17-2/h3-6,10H,7-8H2,1-2H3.
What are the key properties of methyl 3-(1-methyl-2-oxo-3H-indol-3-yl)propanoate?
methyl 3-(1-methyl-2-oxo-3H-indol-3-yl)propanoate 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 methyl 3-(1-methyl-2-oxo-3H-indol-3-yl)propanoate is sourced from PubChem (CID 14956192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).