(8S)-2-phenylselanyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C13H15NOSe — CID 134858960

IUPAC(8S)-2-phenylselanyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1C([Se]c2ccccc2)C[C@@H]2CCCN12
InChIInChI=1S/C13H15NOSe/c15-13-12(9-10-5-4-8-14(10)13)16-11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2/t10-,12?/m0/s1
InChIKeyFGSJKJXUHGSKOB-NUHJPDEHSA-N
MW280.23 g/mol
LogP1.20
Rot. Bonds2

About (8S)-2-phenylselanyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one

(8S)-2-phenylselanyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 134858960) has the molecular formula C13H15NOSe and a molecular weight of 280.23 g/mol. Its IUPAC name is (8S)-2-phenylselanyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(8S)-2-phenylselanyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID134858960
Molecular FormulaC13H15NOSe
Molecular Weight280.23 g/mol
Exact Mass281.03
IUPAC Name(8S)-2-phenylselanyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1C([Se]c2ccccc2)C[C@@H]2CCCN12
InChIInChI=1S/C13H15NOSe/c15-13-12(9-10-5-4-8-14(10)13)16-11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2/t10-,12?/m0/s1
InChIKeyFGSJKJXUHGSKOB-NUHJPDEHSA-N
XLogP1.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-phenyl-N-(1-phenylpyrrolidin-2-yl)pyrrolidin-2-amine
CID 175548020
2,10-diazatetracyclo[10.4.0.02,4.06,10]hexadeca-1(16),12,14-trien-11-one
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(1-cyclopropyl-2-oxopiperidin-3-yl)-triphenylphosphanium bromide
CID 22403717
(1S,2S,6R)-3-phenylselanyl-5-oxa-10-azatricyclo[8.3.0.02,6]tridecane-4,11-dione
CID 102485002
1-phenylselanyl-1,2,3,4-tetrahydronaphthalene
CID 10613263
1-cycloheptyl-3-hydroxypiperidin-2-one
CID 117014090
(2R,8aR)-2-amino-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 124680679
(3S)-3-benzyl-1-cyclohexylpyrrolidin-2-one
CID 129365070
6-methyl-5-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one
CID 86234429
(8aS)-6-(4-methoxyphenyl)-7-(phenylsulfanylmethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11122155

Frequently Asked Questions

What is the IUPAC name of (8S)-2-phenylselanyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (8S)-2-phenylselanyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 134858960) is (8S)-2-phenylselanyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (8S)-2-phenylselanyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (8S)-2-phenylselanyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one is O=C1C([Se]c2ccccc2)C[C@@H]2CCCN12.
What is the InChIKey of (8S)-2-phenylselanyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is FGSJKJXUHGSKOB-NUHJPDEHSA-N. The full InChI is InChI=1S/C13H15NOSe/c15-13-12(9-10-5-4-8-14(10)13)16-11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2/t10-,12?/m0/s1.
What are the key properties of (8S)-2-phenylselanyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(8S)-2-phenylselanyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 280.23 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-phenylselanyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 134858960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).