2,3-dihydro-1H-indol-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C13H16N2O2 — CID 107217204

IUPAC2,3-dihydro-1H-indol-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(C1CNc2ccccc21)N1CC[C@@H](O)C1
InChIInChI=1S/C13H16N2O2/c16-9-5-6-15(8-9)13(17)11-7-14-12-4-2-1-3-10(11)12/h1-4,9,11,14,16H,5-8H2/t9-,11?/m1/s1
InChIKeyQUEXMRUPZMYEOM-BFHBGLAWSA-N
MW232.28 g/mol
LogP0.79
Rot. Bonds1

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

2,3-dihydro-1H-indol-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 107217204) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID107217204
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2,3-dihydro-1H-indol-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(C1CNc2ccccc21)N1CC[C@@H](O)C1
InChIInChI=1S/C13H16N2O2/c16-9-5-6-15(8-9)13(17)11-7-14-12-4-2-1-3-10(11)12/h1-4,9,11,14,16H,5-8H2/t9-,11?/m1/s1
InChIKeyQUEXMRUPZMYEOM-BFHBGLAWSA-N
XLogP0.79
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 80566263
[(3S)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 107217468
4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 111561306
1-(2,3-dihydro-1H-indole-3-carbonyl)piperidine-3-carboxylic acid
CID 80565554
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66395557
4-(2,3-dihydro-1H-indole-3-carbonyl)piperazine-2,6-dione
CID 80567231
2,3-dihydro-1H-indol-3-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 80566178
(4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone
CID 80563359
2,3-dihydro-1H-indol-3-yl-(4-propylazepan-1-yl)methanone
CID 80563499
2,3-dihydro-1-benzothiophen-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 79212074
1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 80565592
2,3-dihydro-1H-indol-3-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 80564449

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-indol-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 107217204) is 2,3-dihydro-1H-indol-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is O=C(C1CNc2ccccc21)N1CC[C@@H](O)C1.
What is the InChIKey of 2,3-dihydro-1H-indol-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is QUEXMRUPZMYEOM-BFHBGLAWSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-9-5-6-15(8-9)13(17)11-7-14-12-4-2-1-3-10(11)12/h1-4,9,11,14,16H,5-8H2/t9-,11?/m1/s1.
What are the key properties of 2,3-dihydro-1H-indol-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
2,3-dihydro-1H-indol-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 232.28 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 107217204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).