(3S)-3-hydroxy-1-(1H-indol-5-yl)pyrrolidin-2-one

C12H12N2O2 — CID 175732870

IUPAC(3S)-3-hydroxy-1-(1H-indol-5-yl)pyrrolidin-2-one
SMILESO=C1[C@@H](O)CCN1c1ccc2[nH]ccc2c1
InChIInChI=1S/C12H12N2O2/c15-11-4-6-14(12(11)16)9-1-2-10-8(7-9)3-5-13-10/h1-3,5,7,11,13,15H,4,6H2/t11-/m0/s1
InChIKeyWKYKHTCUOAMBQH-NSHDSACASA-N
MW216.24 g/mol
LogP1.27
Rot. Bonds1

About (3S)-3-hydroxy-1-(1H-indol-5-yl)pyrrolidin-2-one

(3S)-3-hydroxy-1-(1H-indol-5-yl)pyrrolidin-2-one (PubChem CID 175732870) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is (3S)-3-hydroxy-1-(1H-indol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-1-(1H-indol-5-yl)pyrrolidin-2-one
PubChem CID175732870
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name(3S)-3-hydroxy-1-(1H-indol-5-yl)pyrrolidin-2-one
SMILESO=C1[C@@H](O)CCN1c1ccc2[nH]ccc2c1
InChIInChI=1S/C12H12N2O2/c15-11-4-6-14(12(11)16)9-1-2-10-8(7-9)3-5-13-10/h1-3,5,7,11,13,15H,4,6H2/t11-/m0/s1
InChIKeyWKYKHTCUOAMBQH-NSHDSACASA-N
XLogP1.27
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-indol-5-yl)piperidin-4-one
CID 83972067
(3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one
CID 122515775
5-(1,4-diazepan-1-yl)-1H-indole
CID 83972060
(3R)-N-[(3,5-difluorophenyl)methyl]-3-hydroxy-1-(1H-indol-5-yl)-2-oxopyrrolidine-3-carboxamide
CID 155461948
(3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 154498751
tert-butyl N-[1-(1H-indol-5-yl)-3,4-dihydro-2H-quinolin-4-yl]-N-[[1-(1H-indol-5-yl)-3,4-dihydro-2H-quinolin-4-yl]-methylamino]carbamate
CID 71029209
2-(1H-indol-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 90761259
5-(4-propan-2-ylpiperazin-1-yl)-1H-indole
CID 22015411
[4-(1H-indol-5-yl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone
CID 154994314
1-(1H-indol-5-yl)-3H-indol-2-one
CID 70205556
1-(1H-indol-5-yl)pyrazin-2-one
CID 23086778
1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxylic acid
CID 42853495

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1-(1H-indol-5-yl)pyrrolidin-2-one?
The IUPAC name of (3S)-3-hydroxy-1-(1H-indol-5-yl)pyrrolidin-2-one (CID 175732870) is (3S)-3-hydroxy-1-(1H-indol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-hydroxy-1-(1H-indol-5-yl)pyrrolidin-2-one?
The canonical SMILES for (3S)-3-hydroxy-1-(1H-indol-5-yl)pyrrolidin-2-one is O=C1[C@@H](O)CCN1c1ccc2[nH]ccc2c1.
What is the InChIKey of (3S)-3-hydroxy-1-(1H-indol-5-yl)pyrrolidin-2-one?
The InChIKey is WKYKHTCUOAMBQH-NSHDSACASA-N. The full InChI is InChI=1S/C12H12N2O2/c15-11-4-6-14(12(11)16)9-1-2-10-8(7-9)3-5-13-10/h1-3,5,7,11,13,15H,4,6H2/t11-/m0/s1.
What are the key properties of (3S)-3-hydroxy-1-(1H-indol-5-yl)pyrrolidin-2-one?
(3S)-3-hydroxy-1-(1H-indol-5-yl)pyrrolidin-2-one has a molecular weight of 216.24 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1-(1H-indol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 175732870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).