[(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone

C13H16N2O3 — CID 107220795

IUPAC[(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1Cc2ccccc2N1)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C13H16N2O3/c16-11-6-15(7-12(11)17)13(18)10-5-8-3-1-2-4-9(8)14-10/h1-4,10-12,14,16-17H,5-7H2/t10-,11-,12+/m0/s1
InChIKeyLNNCYFXNMYZBTF-SDDRHHMPSA-N
MW248.28 g/mol
LogP-0.41
Rot. Bonds1

About [(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone

[(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone (PubChem CID 107220795) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is [(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
PubChem CID107220795
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name[(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1Cc2ccccc2N1)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C13H16N2O3/c16-11-6-15(7-12(11)17)13(18)10-5-8-3-1-2-4-9(8)14-10/h1-4,10-12,14,16-17H,5-7H2/t10-,11-,12+/m0/s1
InChIKeyLNNCYFXNMYZBTF-SDDRHHMPSA-N
XLogP-0.41
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
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
[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 124591728
1-[4-(2,3-dihydro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 76912181
[(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
1-(2,3-dihydro-1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 76892627
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 107220658
bis(2,3-dihydro-1H-indol-2-yl)methanone
CID 174436301
2,3-dihydro-1H-indol-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81103602

Frequently Asked Questions

What is the IUPAC name of [(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone (CID 107220795) is [(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone is O=C([C@@H]1Cc2ccccc2N1)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of [(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone?
The InChIKey is LNNCYFXNMYZBTF-SDDRHHMPSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-11-6-15(7-12(11)17)13(18)10-5-8-3-1-2-4-9(8)14-10/h1-4,10-12,14,16-17H,5-7H2/t10-,11-,12+/m0/s1.
What are the key properties of [(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone?
[(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone has a molecular weight of 248.28 g/mol, XLogP of -0.41, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 107220795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).