1-(2,3-dihydro-1H-inden-2-yl)-3-(propan-2-ylamino)pyrrolidin-2-one

C16H22N2O — CID 107849741

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-3-(propan-2-ylamino)pyrrolidin-2-one
SMILESCC(C)NC1CCN(C2Cc3ccccc3C2)C1=O
InChIInChI=1S/C16H22N2O/c1-11(2)17-15-7-8-18(16(15)19)14-9-12-5-3-4-6-13(12)10-14/h3-6,11,14-15,17H,7-10H2,1-2H3
InChIKeyHUOGDFVPOLPDAV-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.75
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-2-yl)-3-(propan-2-ylamino)pyrrolidin-2-one

1-(2,3-dihydro-1H-inden-2-yl)-3-(propan-2-ylamino)pyrrolidin-2-one (PubChem CID 107849741) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-3-(propan-2-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-3-(propan-2-ylamino)pyrrolidin-2-one
PubChem CID107849741
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-3-(propan-2-ylamino)pyrrolidin-2-one
SMILESCC(C)NC1CCN(C2Cc3ccccc3C2)C1=O
InChIInChI=1S/C16H22N2O/c1-11(2)17-15-7-8-18(16(15)19)14-9-12-5-3-4-6-13(12)10-14/h3-6,11,14-15,17H,7-10H2,1-2H3
InChIKeyHUOGDFVPOLPDAV-UHFFFAOYSA-N
XLogP1.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Indantadol
CID 10192617
(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)-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
(3S,6S,10aS)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-[(2S)-2-(methylamino)propanamido]-5-oxo-decahydropyrrolo[1,2-a]azocine-3-carboxamide
CID 25138071
N-(2,3-dihydro-1H-inden-2-yl)-2-(3-oxo-2-piperazinyl)acetamide
CID 2814083
1-cyclopentyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 5090685
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]but-2-ynamide
CID 23723780
2-((2,5-Dioxo-1-phenethylpyrrolidin-3-yl)amino)acetamide
CID 3126833
1-[2-(Indan-2-ylamino)-acetyl]-pyrrolidine-2-carbonitrile
CID 10923589
N-Biphenyl-2-ylmethyl-N-(S)-pyrrolidin-3-yl-butyramide
CID 11616771
(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide
CID 145992380
(2S)-N-(2,3-dihydro-1H-inden-2-yl)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide
CID 145992849

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-(propan-2-ylamino)pyrrolidin-2-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-(propan-2-ylamino)pyrrolidin-2-one (CID 107849741) is 1-(2,3-dihydro-1H-inden-2-yl)-3-(propan-2-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-3-(propan-2-ylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-3-(propan-2-ylamino)pyrrolidin-2-one is CC(C)NC1CCN(C2Cc3ccccc3C2)C1=O.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-3-(propan-2-ylamino)pyrrolidin-2-one?
The InChIKey is HUOGDFVPOLPDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(2)17-15-7-8-18(16(15)19)14-9-12-5-3-4-6-13(12)10-14/h3-6,11,14-15,17H,7-10H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-3-(propan-2-ylamino)pyrrolidin-2-one?
1-(2,3-dihydro-1H-inden-2-yl)-3-(propan-2-ylamino)pyrrolidin-2-one has a molecular weight of 258.37 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-3-(propan-2-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 107849741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).