(5R)-5-[2-(benzylamino)ethyl]-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-one

C22H26N2O — CID 26399021

IUPAC(5R)-5-[2-(benzylamino)ethyl]-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-one
SMILESO=C1CC[C@H](CCNCc2ccccc2)N1C1Cc2ccccc2C1
InChIInChI=1S/C22H26N2O/c25-22-11-10-20(12-13-23-16-17-6-2-1-3-7-17)24(22)21-14-18-8-4-5-9-19(18)15-21/h1-9,20-21,23H,10-16H2/t20-/m1/s1
InChIKeyOBDDFGNLAHNGCE-HXUWFJFHSA-N
MW334.46 g/mol
LogP3.32
Rot. Bonds6

About (5R)-5-[2-(benzylamino)ethyl]-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-one

(5R)-5-[2-(benzylamino)ethyl]-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-one (PubChem CID 26399021) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is (5R)-5-[2-(benzylamino)ethyl]-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[2-(benzylamino)ethyl]-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-one
PubChem CID26399021
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name(5R)-5-[2-(benzylamino)ethyl]-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-one
SMILESO=C1CC[C@H](CCNCc2ccccc2)N1C1Cc2ccccc2C1
InChIInChI=1S/C22H26N2O/c25-22-11-10-20(12-13-23-16-17-6-2-1-3-7-17)24(22)21-14-18-8-4-5-9-19(18)15-21/h1-9,20-21,23H,10-16H2/t20-/m1/s1
InChIKeyOBDDFGNLAHNGCE-HXUWFJFHSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-Amino-2-cyclohexyl-1-(1,3-dihydro-2H-isoindol-2-YL)ethanone
CID 17751406
(2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]pyrrolidine-2-carboxamide
CID 11166263
(2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-N-(9H-fluoren-9-yl)pyrrolidine-2-carboxamide
CID 11236902
(2S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]pyrrolidine-2-carboxamide
CID 11750738
(2R)-1-benzyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)pyrrolidine-2-carboxamide
CID 11511090
N-(4-((2,3-dihydro-1H-inden-2-yl)(propyl)amino)butyl)biphenyl-2-carboxamide
CID 54585226
1-benzyl-N-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 24819950
(S)-N-(biphenyl-2-ylmethyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11529874
N-Biphenyl-2-ylmethyl-N-(S)-pyrrolidin-3-yl-propionamide
CID 11536862
N-Biphenyl-2-ylmethyl-3-methyl-N-(S)-pyrrolidin-3-yl-butyramide
CID 11566229
N-Biphenyl-2-ylmethyl-N-(S)-pyrrolidin-3-yl-butyramide
CID 11616771
2-[2-(Acetylamino-methyl)-phenyl]-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 44399274

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-(benzylamino)ethyl]-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-one?
The IUPAC name of (5R)-5-[2-(benzylamino)ethyl]-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-one (CID 26399021) is (5R)-5-[2-(benzylamino)ethyl]-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[2-(benzylamino)ethyl]-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[2-(benzylamino)ethyl]-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-one is O=C1CC[C@H](CCNCc2ccccc2)N1C1Cc2ccccc2C1.
What is the InChIKey of (5R)-5-[2-(benzylamino)ethyl]-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-one?
The InChIKey is OBDDFGNLAHNGCE-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N2O/c25-22-11-10-20(12-13-23-16-17-6-2-1-3-7-17)24(22)21-14-18-8-4-5-9-19(18)15-21/h1-9,20-21,23H,10-16H2/t20-/m1/s1.
What are the key properties of (5R)-5-[2-(benzylamino)ethyl]-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-one?
(5R)-5-[2-(benzylamino)ethyl]-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-one has a molecular weight of 334.46 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-(benzylamino)ethyl]-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 26399021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).