[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone

C13H16N2O — CID 61148628

IUPAC[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1Cc2ccccc2N1)N1CCCC1
InChIInChI=1S/C13H16N2O/c16-13(15-7-3-4-8-15)12-9-10-5-1-2-6-11(10)14-12/h1-2,5-6,12,14H,3-4,7-9H2/t12-/m0/s1
InChIKeyYYFQMRGPKLHPHS-LBPRGKRZSA-N
MW216.28 g/mol
LogP1.65
Rot. Bonds1

About [(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone

[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 61148628) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is [(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID61148628
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1Cc2ccccc2N1)N1CCCC1
InChIInChI=1S/C13H16N2O/c16-13(15-7-3-4-8-15)12-9-10-5-1-2-6-11(10)14-12/h1-2,5-6,12,14H,3-4,7-9H2/t12-/m0/s1
InChIKeyYYFQMRGPKLHPHS-LBPRGKRZSA-N
XLogP1.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,3-dihydro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 76912181
2,3-dihydro-1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone
CID 76891866
[(2S)-2,3-dihydro-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone
CID 55153900
1-(2,3-dihydro-1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 76892627
2,3-dihydro-1H-indol-2-yl-(4,4-dimethylazepan-1-yl)methanone
CID 77064458
8-azaspiro[4.5]decan-8-yl(2,3-dihydro-1H-indol-2-yl)methanone
CID 76986786
[(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220795
[(2R)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 124591695
[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 124591703
[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 124574751
2,3-dihydro-1H-indol-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81103602
(4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-2-yl)methanone
CID 76903989

Frequently Asked Questions

What is the IUPAC name of [(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone (CID 61148628) is [(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone is O=C([C@@H]1Cc2ccccc2N1)N1CCCC1.
What is the InChIKey of [(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YYFQMRGPKLHPHS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16N2O/c16-13(15-7-3-4-8-15)12-9-10-5-1-2-6-11(10)14-12/h1-2,5-6,12,14H,3-4,7-9H2/t12-/m0/s1.
What are the key properties of [(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone?
[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 216.28 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 61148628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).