5-benzyl-5-hydroxy-4-methyl-1H-pyrrol-2-one

C12H13NO2 — CID 134862587

IUPAC5-benzyl-5-hydroxy-4-methyl-1H-pyrrol-2-one
SMILESCC1=CC(=O)NC1(O)Cc1ccccc1
InChIInChI=1S/C12H13NO2/c1-9-7-11(14)13-12(9,15)8-10-5-3-2-4-6-10/h2-7,15H,8H2,1H3,(H,13,14)
InChIKeyKDZCGSOGKDBEKK-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.99
Rot. Bonds2

About 5-benzyl-5-hydroxy-4-methyl-1H-pyrrol-2-one

5-benzyl-5-hydroxy-4-methyl-1H-pyrrol-2-one (PubChem CID 134862587) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-benzyl-5-hydroxy-4-methyl-1H-pyrrol-2-one.

Molecular Properties

Compound Name5-benzyl-5-hydroxy-4-methyl-1H-pyrrol-2-one
PubChem CID134862587
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name5-benzyl-5-hydroxy-4-methyl-1H-pyrrol-2-one
SMILESCC1=CC(=O)NC1(O)Cc1ccccc1
InChIInChI=1S/C12H13NO2/c1-9-7-11(14)13-12(9,15)8-10-5-3-2-4-6-10/h2-7,15H,8H2,1H3,(H,13,14)
InChIKeyKDZCGSOGKDBEKK-UHFFFAOYSA-N
XLogP0.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-5-hydroxy-4-methyl-1H-pyrrol-2-one?
The IUPAC name of 5-benzyl-5-hydroxy-4-methyl-1H-pyrrol-2-one (CID 134862587) is 5-benzyl-5-hydroxy-4-methyl-1H-pyrrol-2-one.
What is the SMILES notation for 5-benzyl-5-hydroxy-4-methyl-1H-pyrrol-2-one?
The canonical SMILES for 5-benzyl-5-hydroxy-4-methyl-1H-pyrrol-2-one is CC1=CC(=O)NC1(O)Cc1ccccc1.
What is the InChIKey of 5-benzyl-5-hydroxy-4-methyl-1H-pyrrol-2-one?
The InChIKey is KDZCGSOGKDBEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-9-7-11(14)13-12(9,15)8-10-5-3-2-4-6-10/h2-7,15H,8H2,1H3,(H,13,14).
What are the key properties of 5-benzyl-5-hydroxy-4-methyl-1H-pyrrol-2-one?
5-benzyl-5-hydroxy-4-methyl-1H-pyrrol-2-one has a molecular weight of 203.24 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5-hydroxy-4-methyl-1H-pyrrol-2-one is sourced from PubChem (CID 134862587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).