1-benzyl-5-ethenyl-5-hydroxypyrrolidin-2-one

C13H15NO2 — CID 11252934

IUPAC1-benzyl-5-ethenyl-5-hydroxypyrrolidin-2-one
SMILESC=CC1(O)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H15NO2/c1-2-13(16)9-8-12(15)14(13)10-11-6-4-3-5-7-11/h2-7,16H,1,8-10H2
InChIKeyVFEXLXGAFPWOCO-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.68
Rot. Bonds3

About 1-benzyl-5-ethenyl-5-hydroxypyrrolidin-2-one

1-benzyl-5-ethenyl-5-hydroxypyrrolidin-2-one (PubChem CID 11252934) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-benzyl-5-ethenyl-5-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-ethenyl-5-hydroxypyrrolidin-2-one
PubChem CID11252934
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-benzyl-5-ethenyl-5-hydroxypyrrolidin-2-one
SMILESC=CC1(O)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H15NO2/c1-2-13(16)9-8-12(15)14(13)10-11-6-4-3-5-7-11/h2-7,16H,1,8-10H2
InChIKeyVFEXLXGAFPWOCO-UHFFFAOYSA-N
XLogP1.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Phenylmethyl)-2,5-pyrrolidinedione
CID 95241
1-Benzyl-3-pyrrolidone
CID 79176
1-((4-Methylphenyl)methyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2742110
5-Oxo-1-(1-phenylethyl)-3-pyrrolidinecarboxylic acid
CID 616196
1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid
CID 99024
5-Hydroxy-1-methyl-5-phenylpyrrolidin-2-one
CID 211451
1-(4-Fluorobenzyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2780702
5-Hydroxy-1-methyl-5-(3-methylphenyl)pyrrolidin-2-one
CID 3042359
2-Pyrrolidinone, 5-methoxy-1-(phenylmethyl)-, (+-)-
CID 3077957
1-Benzylpyrrolidine-2,3-dione
CID 11171472
2-Pyrrolidinone, 1-(phenylmethyl)-5-propoxy-, (+-)-
CID 3077959
2-Pyrrolidinone, 5-(1-methylethoxy)-1-(phenylmethyl)-, (+-)-
CID 3077960

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethenyl-5-hydroxypyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-ethenyl-5-hydroxypyrrolidin-2-one (CID 11252934) is 1-benzyl-5-ethenyl-5-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-ethenyl-5-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-ethenyl-5-hydroxypyrrolidin-2-one is C=CC1(O)CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-ethenyl-5-hydroxypyrrolidin-2-one?
The InChIKey is VFEXLXGAFPWOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-13(16)9-8-12(15)14(13)10-11-6-4-3-5-7-11/h2-7,16H,1,8-10H2.
What are the key properties of 1-benzyl-5-ethenyl-5-hydroxypyrrolidin-2-one?
1-benzyl-5-ethenyl-5-hydroxypyrrolidin-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethenyl-5-hydroxypyrrolidin-2-one is sourced from PubChem (CID 11252934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).