5-(2-methoxyethyl)-4-methyl-1,3-dihydroindol-2-one

C12H15NO2 — CID 22131104

IUPAC5-(2-methoxyethyl)-4-methyl-1,3-dihydroindol-2-one
SMILESCOCCc1ccc2c(c1C)CC(=O)N2
InChIInChI=1S/C12H15NO2/c1-8-9(5-6-15-2)3-4-11-10(8)7-12(14)13-11/h3-4H,5-7H2,1-2H3,(H,13,14)
InChIKeyPCIJFGOZWPOBFE-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.68
Rot. Bonds3

About 5-(2-methoxyethyl)-4-methyl-1,3-dihydroindol-2-one

5-(2-methoxyethyl)-4-methyl-1,3-dihydroindol-2-one (PubChem CID 22131104) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-4-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2-methoxyethyl)-4-methyl-1,3-dihydroindol-2-one
PubChem CID22131104
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name5-(2-methoxyethyl)-4-methyl-1,3-dihydroindol-2-one
SMILESCOCCc1ccc2c(c1C)CC(=O)N2
InChIInChI=1S/C12H15NO2/c1-8-9(5-6-15-2)3-4-11-10(8)7-12(14)13-11/h3-4H,5-7H2,1-2H3,(H,13,14)
InChIKeyPCIJFGOZWPOBFE-UHFFFAOYSA-N
XLogP1.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-4-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2-methoxyethyl)-4-methyl-1,3-dihydroindol-2-one (CID 22131104) is 5-(2-methoxyethyl)-4-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2-methoxyethyl)-4-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2-methoxyethyl)-4-methyl-1,3-dihydroindol-2-one is COCCc1ccc2c(c1C)CC(=O)N2.
What is the InChIKey of 5-(2-methoxyethyl)-4-methyl-1,3-dihydroindol-2-one?
The InChIKey is PCIJFGOZWPOBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-9(5-6-15-2)3-4-11-10(8)7-12(14)13-11/h3-4H,5-7H2,1-2H3,(H,13,14).
What are the key properties of 5-(2-methoxyethyl)-4-methyl-1,3-dihydroindol-2-one?
5-(2-methoxyethyl)-4-methyl-1,3-dihydroindol-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-4-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 22131104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).