(5S)-1-benzyl-5-[(2R)-oxiran-2-yl]pyrrolidin-2-one

C13H15NO2 — CID 18641408

IUPAC(5S)-1-benzyl-5-[(2R)-oxiran-2-yl]pyrrolidin-2-one
SMILESO=C1CC[C@@H]([C@@H]2CO2)N1Cc1ccccc1
InChIInChI=1S/C13H15NO2/c15-13-7-6-11(12-9-16-12)14(13)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12-/m0/s1
InChIKeyVFTXNSQGZCZUPI-RYUDHWBXSA-N
MW217.27 g/mol
LogP1.58
Rot. Bonds3

About (5S)-1-benzyl-5-[(2R)-oxiran-2-yl]pyrrolidin-2-one

(5S)-1-benzyl-5-[(2R)-oxiran-2-yl]pyrrolidin-2-one (PubChem CID 18641408) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (5S)-1-benzyl-5-[(2R)-oxiran-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-benzyl-5-[(2R)-oxiran-2-yl]pyrrolidin-2-one
PubChem CID18641408
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(5S)-1-benzyl-5-[(2R)-oxiran-2-yl]pyrrolidin-2-one
SMILESO=C1CC[C@@H]([C@@H]2CO2)N1Cc1ccccc1
InChIInChI=1S/C13H15NO2/c15-13-7-6-11(12-9-16-12)14(13)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12-/m0/s1
InChIKeyVFTXNSQGZCZUPI-RYUDHWBXSA-N
XLogP1.58
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-4a,5,6,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one
CID 151179103
(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 10442943
(4aS,9aS)-4-benzyl-7-(3-phenylpropyl)-4a,5,6,8,9,9a-hexahydro-[1,4]oxazino[2,3-d]azepin-3-one
CID 134805526
1-benzyl-5-(3H-indol-1-ium-3-yl)pyrrolidin-2-one
CID 134942203
(5S)-1-benzyl-5-tert-butylpyrrolidin-2-one
CID 141337970
(3aS,7aS)-1-benzyl-4-(cyclopropylmethyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97460772
5-(2-aminoethyl)-1-benzylpyrrolidin-2-one
CID 53415041
1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 115031392
1-benzyl-5-[2-(1,3-dioxan-2-yl)ethyl]pyrrolidin-2-one
CID 14762611
3-benzyl-4,6,7,7a-tetrahydro-3aH-1,3-benzoxazole-2,5-dione
CID 89439989
2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one
CID 86091539
(4aR,7aS)-4-benzyl-6-(cyclopropanecarbonyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56775203

Frequently Asked Questions

What is the IUPAC name of (5S)-1-benzyl-5-[(2R)-oxiran-2-yl]pyrrolidin-2-one?
The IUPAC name of (5S)-1-benzyl-5-[(2R)-oxiran-2-yl]pyrrolidin-2-one (CID 18641408) is (5S)-1-benzyl-5-[(2R)-oxiran-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-benzyl-5-[(2R)-oxiran-2-yl]pyrrolidin-2-one?
The canonical SMILES for (5S)-1-benzyl-5-[(2R)-oxiran-2-yl]pyrrolidin-2-one is O=C1CC[C@@H]([C@@H]2CO2)N1Cc1ccccc1.
What is the InChIKey of (5S)-1-benzyl-5-[(2R)-oxiran-2-yl]pyrrolidin-2-one?
The InChIKey is VFTXNSQGZCZUPI-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H15NO2/c15-13-7-6-11(12-9-16-12)14(13)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12-/m0/s1.
What are the key properties of (5S)-1-benzyl-5-[(2R)-oxiran-2-yl]pyrrolidin-2-one?
(5S)-1-benzyl-5-[(2R)-oxiran-2-yl]pyrrolidin-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-benzyl-5-[(2R)-oxiran-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 18641408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).