methyl 3-(2-oxo-1,3-dihydroindol-3-yl)propanoate

C12H13NO3 — CID 14903583

IUPACmethyl 3-(2-oxo-1,3-dihydroindol-3-yl)propanoate
SMILESCOC(=O)CCC1C(=O)Nc2ccccc21
InChIInChI=1S/C12H13NO3/c1-16-11(14)7-6-9-8-4-2-3-5-10(8)13-12(9)15/h2-5,9H,6-7H2,1H3,(H,13,15)
InChIKeyJFOMVMVOAXXKKG-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.68
Rot. Bonds3

About methyl 3-(2-oxo-1,3-dihydroindol-3-yl)propanoate

methyl 3-(2-oxo-1,3-dihydroindol-3-yl)propanoate (PubChem CID 14903583) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 3-(2-oxo-1,3-dihydroindol-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-oxo-1,3-dihydroindol-3-yl)propanoate
PubChem CID14903583
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Namemethyl 3-(2-oxo-1,3-dihydroindol-3-yl)propanoate
SMILESCOC(=O)CCC1C(=O)Nc2ccccc21
InChIInChI=1S/C12H13NO3/c1-16-11(14)7-6-9-8-4-2-3-5-10(8)13-12(9)15/h2-5,9H,6-7H2,1H3,(H,13,15)
InChIKeyJFOMVMVOAXXKKG-UHFFFAOYSA-N
XLogP1.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-oxo-1,3-dihydroindol-3-yl)propanoate?
The IUPAC name of methyl 3-(2-oxo-1,3-dihydroindol-3-yl)propanoate (CID 14903583) is methyl 3-(2-oxo-1,3-dihydroindol-3-yl)propanoate.
What is the SMILES notation for methyl 3-(2-oxo-1,3-dihydroindol-3-yl)propanoate?
The canonical SMILES for methyl 3-(2-oxo-1,3-dihydroindol-3-yl)propanoate is COC(=O)CCC1C(=O)Nc2ccccc21.
What is the InChIKey of methyl 3-(2-oxo-1,3-dihydroindol-3-yl)propanoate?
The InChIKey is JFOMVMVOAXXKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-16-11(14)7-6-9-8-4-2-3-5-10(8)13-12(9)15/h2-5,9H,6-7H2,1H3,(H,13,15).
What are the key properties of methyl 3-(2-oxo-1,3-dihydroindol-3-yl)propanoate?
methyl 3-(2-oxo-1,3-dihydroindol-3-yl)propanoate has a molecular weight of 219.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-oxo-1,3-dihydroindol-3-yl)propanoate is sourced from PubChem (CID 14903583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).