1-(2,3-dihydroindol-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanone

C15H20N2O — CID 110857015

IUPAC1-(2,3-dihydroindol-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanone
SMILESCN1CCCC1CC(=O)N1CCc2ccccc21
InChIInChI=1S/C15H20N2O/c1-16-9-4-6-13(16)11-15(18)17-10-8-12-5-2-3-7-14(12)17/h2-3,5,7,13H,4,6,8-11H2,1H3
InChIKeyPJCOYAFIQHVKTL-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.06
Rot. Bonds2

About 1-(2,3-dihydroindol-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanone

1-(2,3-dihydroindol-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanone (PubChem CID 110857015) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanone
PubChem CID110857015
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanone
SMILESCN1CCCC1CC(=O)N1CCc2ccccc21
InChIInChI=1S/C15H20N2O/c1-16-9-4-6-13(16)11-15(18)17-10-8-12-5-2-3-7-14(12)17/h2-3,5,7,13H,4,6,8-11H2,1H3
InChIKeyPJCOYAFIQHVKTL-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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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylpiperidin-2-yl)ethanone
CID 110857116
1-(2,3-dihydroindol-1-yl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 110888130
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 86867538
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 60648595
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 78942384
2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 95321191
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-methylpiperazin-2-one;hydrochloride
CID 110282474
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanone (CID 110857015) is 1-(2,3-dihydroindol-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanone is CN1CCCC1CC(=O)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanone?
The InChIKey is PJCOYAFIQHVKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-16-9-4-6-13(16)11-15(18)17-10-8-12-5-2-3-7-14(12)17/h2-3,5,7,13H,4,6,8-11H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanone?
1-(2,3-dihydroindol-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanone 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 1-(2,3-dihydroindol-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 110857015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).