[(2S,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-indol-5-yl)methanone

C20H20N2O2 — CID 97470101

IUPAC[(2S,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-indol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CC[C@@H](O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H20N2O2/c23-19-9-11-22(18(19)12-14-4-2-1-3-5-14)20(24)16-6-7-17-15(13-16)8-10-21-17/h1-8,10,13,18-19,21,23H,9,11-12H2/t18-,19+/m0/s1
InChIKeySSWDJTIIXDHRPW-RBUKOAKNSA-N
MW320.39 g/mol
LogP2.99
Rot. Bonds3

About [(2S,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-indol-5-yl)methanone

[(2S,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-indol-5-yl)methanone (PubChem CID 97470101) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is [(2S,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[(2S,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-indol-5-yl)methanone
PubChem CID97470101
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name[(2S,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-indol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CC[C@@H](O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H20N2O2/c23-19-9-11-22(18(19)12-14-4-2-1-3-5-14)20(24)16-6-7-17-15(13-16)8-10-21-17/h1-8,10,13,18-19,21,23H,9,11-12H2/t18-,19+/m0/s1
InChIKeySSWDJTIIXDHRPW-RBUKOAKNSA-N
XLogP2.99
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 131688110
(2,4-dimethylpiperidin-1-yl)-(1H-indol-5-yl)methanone
CID 55236063
(3R,4S)-3-benzyl-4-hydroxy-1-(1H-indole-5-carbonyl)piperidine-3-carboxylic acid
CID 164699959
1-(1H-indole-5-carbonyl)pyrrolidine-2-carboxamide
CID 63723246
1H-indol-5-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 63717325
[(3aS,6aR)-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1H-indol-5-yl)methanone
CID 124802198
1-(1H-indole-5-carbonyl)piperidine-2-carboxamide
CID 63719368
(4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene
CID 174396061
(3-fluorophenyl)-[(2S,3S)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 97392021
(3S)-4-(1H-indole-5-carbonyl)morpholine-3-carboxylic acid
CID 124513582
[(4aS,9aR)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(1H-indol-5-yl)methanone
CID 67224579
[1-(1-benzylpyrrolidin-3-yl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;1H-indol-5-yl-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68625032

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-indol-5-yl)methanone?
The IUPAC name of [(2S,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-indol-5-yl)methanone (CID 97470101) is [(2S,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-indol-5-yl)methanone.
What is the SMILES notation for [(2S,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-indol-5-yl)methanone?
The canonical SMILES for [(2S,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-indol-5-yl)methanone is O=C(c1ccc2[nH]ccc2c1)N1CC[C@@H](O)[C@@H]1Cc1ccccc1.
What is the InChIKey of [(2S,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-indol-5-yl)methanone?
The InChIKey is SSWDJTIIXDHRPW-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-19-9-11-22(18(19)12-14-4-2-1-3-5-14)20(24)16-6-7-17-15(13-16)8-10-21-17/h1-8,10,13,18-19,21,23H,9,11-12H2/t18-,19+/m0/s1.
What are the key properties of [(2S,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-indol-5-yl)methanone?
[(2S,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-indol-5-yl)methanone has a molecular weight of 320.39 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-indol-5-yl)methanone is sourced from PubChem (CID 97470101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).