2-(2-methyl-2,3-dihydroindol-1-yl)-1-pyrrolidin-1-ylethanone

C15H20N2O — CID 108993439

IUPAC2-(2-methyl-2,3-dihydroindol-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCC1Cc2ccccc2N1CC(=O)N1CCCC1
InChIInChI=1S/C15H20N2O/c1-12-10-13-6-2-3-7-14(13)17(12)11-15(18)16-8-4-5-9-16/h2-3,6-7,12H,4-5,8-11H2,1H3
InChIKeyPJFSJAQJQNVOKX-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.06
Rot. Bonds2

About 2-(2-methyl-2,3-dihydroindol-1-yl)-1-pyrrolidin-1-ylethanone

2-(2-methyl-2,3-dihydroindol-1-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 108993439) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(2-methyl-2,3-dihydroindol-1-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-methyl-2,3-dihydroindol-1-yl)-1-pyrrolidin-1-ylethanone
PubChem CID108993439
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-(2-methyl-2,3-dihydroindol-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCC1Cc2ccccc2N1CC(=O)N1CCCC1
InChIInChI=1S/C15H20N2O/c1-12-10-13-6-2-3-7-14(13)17(12)11-15(18)16-8-4-5-9-16/h2-3,6-7,12H,4-5,8-11H2,1H3
InChIKeyPJFSJAQJQNVOKX-UHFFFAOYSA-N
XLogP2.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,3-dihydroindol-1-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2-methyl-2,3-dihydroindol-1-yl)-1-pyrrolidin-1-ylethanone (CID 108993439) is 2-(2-methyl-2,3-dihydroindol-1-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2-methyl-2,3-dihydroindol-1-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2-methyl-2,3-dihydroindol-1-yl)-1-pyrrolidin-1-ylethanone is CC1Cc2ccccc2N1CC(=O)N1CCCC1.
What is the InChIKey of 2-(2-methyl-2,3-dihydroindol-1-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is PJFSJAQJQNVOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-10-13-6-2-3-7-14(13)17(12)11-15(18)16-8-4-5-9-16/h2-3,6-7,12H,4-5,8-11H2,1H3.
What are the key properties of 2-(2-methyl-2,3-dihydroindol-1-yl)-1-pyrrolidin-1-ylethanone?
2-(2-methyl-2,3-dihydroindol-1-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 244.34 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,3-dihydroindol-1-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 108993439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).