2,3-dihydro-1H-indol-2-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone

C16H22N2O — CID 83228185

IUPAC2,3-dihydro-1H-indol-2-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
SMILESCCC1CCC(C)N1C(=O)C1Cc2ccccc2N1
InChIInChI=1S/C16H22N2O/c1-3-13-9-8-11(2)18(13)16(19)15-10-12-6-4-5-7-14(12)17-15/h4-7,11,13,15,17H,3,8-10H2,1-2H3
InChIKeyQNMIOFIMWBZPSI-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.81
Rot. Bonds2

About 2,3-dihydro-1H-indol-2-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone

2,3-dihydro-1H-indol-2-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone (PubChem CID 83228185) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-2-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-2-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
PubChem CID83228185
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2,3-dihydro-1H-indol-2-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
SMILESCCC1CCC(C)N1C(=O)C1Cc2ccccc2N1
InChIInChI=1S/C16H22N2O/c1-3-13-9-8-11(2)18(13)16(19)15-10-12-6-4-5-7-14(12)17-15/h4-7,11,13,15,17H,3,8-10H2,1-2H3
InChIKeyQNMIOFIMWBZPSI-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-indol-2-yl-(2-ethylpyrrolidin-1-yl)methanone
CID 76895259
[(2S)-2,3-dihydro-1H-indol-2-yl]-(3-ethylmorpholin-4-yl)methanone
CID 61155795
[(2S)-2,3-dihydro-1H-indol-2-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 61156453
2,3-dihydro-1H-indol-2-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 76892715
2,3-dihydro-1H-indol-2-yl-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 77002717
1-[(2S)-2,3-dihydro-1H-indol-2-yl]propan-1-one
CID 67580634
2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone
CID 76895982
2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone
CID 77002747
2-[1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidin-2-yl]acetic acid
CID 61371354
[(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220795
[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
bis(2,3-dihydro-1H-indol-2-yl)methanone
CID 174436301

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-2-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-2-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone (CID 83228185) is 2,3-dihydro-1H-indol-2-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-2-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-2-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone is CCC1CCC(C)N1C(=O)C1Cc2ccccc2N1.
What is the InChIKey of 2,3-dihydro-1H-indol-2-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The InChIKey is QNMIOFIMWBZPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-13-9-8-11(2)18(13)16(19)15-10-12-6-4-5-7-14(12)17-15/h4-7,11,13,15,17H,3,8-10H2,1-2H3.
What are the key properties of 2,3-dihydro-1H-indol-2-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
2,3-dihydro-1H-indol-2-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone has a molecular weight of 258.37 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-2-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 83228185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).