1-benzyl-5-hydroxy-5-methylpyrrolidin-2-one

C12H15NO2 — CID 19969531

IUPAC1-benzyl-5-hydroxy-5-methylpyrrolidin-2-one
SMILESCC1(O)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C12H15NO2/c1-12(15)8-7-11(14)13(12)9-10-5-3-2-4-6-10/h2-6,15H,7-9H2,1H3
InChIKeyQZRHXBWTWWTYPY-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.52
Rot. Bonds2

About 1-benzyl-5-hydroxy-5-methylpyrrolidin-2-one

1-benzyl-5-hydroxy-5-methylpyrrolidin-2-one (PubChem CID 19969531) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-benzyl-5-hydroxy-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-hydroxy-5-methylpyrrolidin-2-one
PubChem CID19969531
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-benzyl-5-hydroxy-5-methylpyrrolidin-2-one
SMILESCC1(O)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C12H15NO2/c1-12(15)8-7-11(14)13(12)9-10-5-3-2-4-6-10/h2-6,15H,7-9H2,1H3
InChIKeyQZRHXBWTWWTYPY-UHFFFAOYSA-N
XLogP1.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-hydroxy-5-methylpyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-hydroxy-5-methylpyrrolidin-2-one (CID 19969531) is 1-benzyl-5-hydroxy-5-methylpyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-hydroxy-5-methylpyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-hydroxy-5-methylpyrrolidin-2-one is CC1(O)CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-hydroxy-5-methylpyrrolidin-2-one?
The InChIKey is QZRHXBWTWWTYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(15)8-7-11(14)13(12)9-10-5-3-2-4-6-10/h2-6,15H,7-9H2,1H3.
What are the key properties of 1-benzyl-5-hydroxy-5-methylpyrrolidin-2-one?
1-benzyl-5-hydroxy-5-methylpyrrolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-hydroxy-5-methylpyrrolidin-2-one is sourced from PubChem (CID 19969531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).