5-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-dihydroindol-2-one

C20H22N2O — CID 162045284

IUPAC5-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-dihydroindol-2-one
SMILESCc1c(CN2CCCC2)cccc1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C20H22N2O/c1-14-16(13-22-9-2-3-10-22)5-4-6-18(14)15-7-8-19-17(11-15)12-20(23)21-19/h4-8,11H,2-3,9-10,12-13H2,1H3,(H,21,23)
InChIKeyYXUNMRNRGPENDO-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.75
Rot. Bonds3

About 5-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-dihydroindol-2-one

5-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-dihydroindol-2-one (PubChem CID 162045284) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-dihydroindol-2-one
PubChem CID162045284
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name5-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-dihydroindol-2-one
SMILESCc1c(CN2CCCC2)cccc1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C20H22N2O/c1-14-16(13-22-9-2-3-10-22)5-4-6-18(14)15-7-8-19-17(11-15)12-20(23)21-19/h4-8,11H,2-3,9-10,12-13H2,1H3,(H,21,23)
InChIKeyYXUNMRNRGPENDO-UHFFFAOYSA-N
XLogP3.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-dihydroindol-2-one (CID 162045284) is 5-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-dihydroindol-2-one is Cc1c(CN2CCCC2)cccc1-c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-dihydroindol-2-one?
The InChIKey is YXUNMRNRGPENDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-14-16(13-22-9-2-3-10-22)5-4-6-18(14)15-7-8-19-17(11-15)12-20(23)21-19/h4-8,11H,2-3,9-10,12-13H2,1H3,(H,21,23).
What are the key properties of 5-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-dihydroindol-2-one?
5-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-dihydroindol-2-one has a molecular weight of 306.41 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 162045284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).