1-[(2S,3R)-3-hydroxy-2-(phenylselanylmethyl)pyrrolidin-1-yl]ethanone

C13H17NO2Se — CID 11130280

IUPAC1-[(2S,3R)-3-hydroxy-2-(phenylselanylmethyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](O)[C@H]1C[Se]c1ccccc1
InChIInChI=1S/C13H17NO2Se/c1-10(15)14-8-7-13(16)12(14)9-17-11-5-3-2-4-6-11/h2-6,12-13,16H,7-9H2,1H3/t12-,13-/m1/s1
InChIKeyIHUUZXWXFDQKKS-CHWSQXEVSA-N
MW298.24 g/mol
LogP0.42
Rot. Bonds3

About 1-[(2S,3R)-3-hydroxy-2-(phenylselanylmethyl)pyrrolidin-1-yl]ethanone

1-[(2S,3R)-3-hydroxy-2-(phenylselanylmethyl)pyrrolidin-1-yl]ethanone (PubChem CID 11130280) has the molecular formula C13H17NO2Se and a molecular weight of 298.24 g/mol. Its IUPAC name is 1-[(2S,3R)-3-hydroxy-2-(phenylselanylmethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,3R)-3-hydroxy-2-(phenylselanylmethyl)pyrrolidin-1-yl]ethanone
PubChem CID11130280
Molecular FormulaC13H17NO2Se
Molecular Weight298.24 g/mol
Exact Mass299.04
IUPAC Name1-[(2S,3R)-3-hydroxy-2-(phenylselanylmethyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](O)[C@H]1C[Se]c1ccccc1
InChIInChI=1S/C13H17NO2Se/c1-10(15)14-8-7-13(16)12(14)9-17-11-5-3-2-4-6-11/h2-6,12-13,16H,7-9H2,1H3/t12-,13-/m1/s1
InChIKeyIHUUZXWXFDQKKS-CHWSQXEVSA-N
XLogP0.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2S,3R)-3-hydroxy-2-(phenylselanylmethyl)pyrrolidine-1-carboxylate
CID 11035659
1-[(2S,3S)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 155875837
tert-butyl (2S)-2-(phenylselanylmethyl)pyrrolidine-1-carboxylate
CID 122386269
[(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 131688110
1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102783447
1-O-benzyl 2-O-methyl (2S,3R)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 169448826
[(2R,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 124835252
1-[(4S,4aR,8aR)-4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 7107075
benzyl 3-hydroxy-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 85341259
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-phenylmethanone
CID 102786620
1-(2-benzyl-4-methylpiperazin-1-yl)ethanone
CID 59474156
(2S)-2-ethyl-1-phenylpyrrolidin-3-ol
CID 167069518

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R)-3-hydroxy-2-(phenylselanylmethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S,3R)-3-hydroxy-2-(phenylselanylmethyl)pyrrolidin-1-yl]ethanone (CID 11130280) is 1-[(2S,3R)-3-hydroxy-2-(phenylselanylmethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,3R)-3-hydroxy-2-(phenylselanylmethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,3R)-3-hydroxy-2-(phenylselanylmethyl)pyrrolidin-1-yl]ethanone is CC(=O)N1CC[C@@H](O)[C@H]1C[Se]c1ccccc1.
What is the InChIKey of 1-[(2S,3R)-3-hydroxy-2-(phenylselanylmethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is IHUUZXWXFDQKKS-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H17NO2Se/c1-10(15)14-8-7-13(16)12(14)9-17-11-5-3-2-4-6-11/h2-6,12-13,16H,7-9H2,1H3/t12-,13-/m1/s1.
What are the key properties of 1-[(2S,3R)-3-hydroxy-2-(phenylselanylmethyl)pyrrolidin-1-yl]ethanone?
1-[(2S,3R)-3-hydroxy-2-(phenylselanylmethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 298.24 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R)-3-hydroxy-2-(phenylselanylmethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 11130280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).