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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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).