1-benzyl-5-ethyl-5-hydroxypyrrolidin-2-one

C13H17NO2 — CID 86101216

IUPAC1-benzyl-5-ethyl-5-hydroxypyrrolidin-2-one
SMILESCCC1(O)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-2-13(16)9-8-12(15)14(13)10-11-6-4-3-5-7-11/h3-7,16H,2,8-10H2,1H3
InChIKeyQOOUOCOMRLFMSP-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.91
Rot. Bonds3

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

1-benzyl-5-ethyl-5-hydroxypyrrolidin-2-one (PubChem CID 86101216) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-benzyl-5-ethyl-5-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-ethyl-5-hydroxypyrrolidin-2-one
PubChem CID86101216
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-benzyl-5-ethyl-5-hydroxypyrrolidin-2-one
SMILESCCC1(O)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-2-13(16)9-8-12(15)14(13)10-11-6-4-3-5-7-11/h3-7,16H,2,8-10H2,1H3
InChIKeyQOOUOCOMRLFMSP-UHFFFAOYSA-N
XLogP1.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
5-Acetyl-1-benzylpyrrolidin-2-one
CID 19834189
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
2,2-Dimethyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one
CID 60723604
2-Pyrrolidinone, 5-methoxy-1-(phenylmethyl)-, (+-)-
CID 3077957
1-Benzylpyrrolidine-2,3-dione
CID 11171472
N-benzyl-N-methyl-2-(2-oxo-1-pyrrolidinyl)acetamide
CID 766514

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethyl-5-hydroxypyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-ethyl-5-hydroxypyrrolidin-2-one (CID 86101216) is 1-benzyl-5-ethyl-5-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-ethyl-5-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-ethyl-5-hydroxypyrrolidin-2-one is CCC1(O)CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-ethyl-5-hydroxypyrrolidin-2-one?
The InChIKey is QOOUOCOMRLFMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-13(16)9-8-12(15)14(13)10-11-6-4-3-5-7-11/h3-7,16H,2,8-10H2,1H3.
What are the key properties of 1-benzyl-5-ethyl-5-hydroxypyrrolidin-2-one?
1-benzyl-5-ethyl-5-hydroxypyrrolidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethyl-5-hydroxypyrrolidin-2-one is sourced from PubChem (CID 86101216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).