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

C12H13NO2 — CID 69072538

IUPAC5-benzyl-4-hydroxy-5-methyl-1H-pyrrol-2-one
SMILESCC1(Cc2ccccc2)NC(=O)C=C1O
InChIInChI=1S/C12H13NO2/c1-12(10(14)7-11(15)13-12)8-9-5-3-2-4-6-9/h2-7,14H,8H2,1H3,(H,13,15)
InChIKeyJHTFABBYKMMAKH-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.56
Rot. Bonds2

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

5-benzyl-4-hydroxy-5-methyl-1H-pyrrol-2-one (PubChem CID 69072538) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-benzyl-4-hydroxy-5-methyl-1H-pyrrol-2-one.

Molecular Properties

Compound Name5-benzyl-4-hydroxy-5-methyl-1H-pyrrol-2-one
PubChem CID69072538
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name5-benzyl-4-hydroxy-5-methyl-1H-pyrrol-2-one
SMILESCC1(Cc2ccccc2)NC(=O)C=C1O
InChIInChI=1S/C12H13NO2/c1-12(10(14)7-11(15)13-12)8-9-5-3-2-4-6-9/h2-7,14H,8H2,1H3,(H,13,15)
InChIKeyJHTFABBYKMMAKH-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzyl-5-hydroxy-4-methyl-1H-pyrrol-2-one
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5-benzyl-5-methoxy-1H-pyrrol-2-one
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CID 10536224
3-benzyl-3-methylpyrrolidin-2-one
CID 10420013
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CID 125475475
[(1S,2S)-2-bromo-1-methylcyclopropyl]methylbenzene
CID 125475476
(3R,3aR,6aS)-3-benzyl-6a-hydroxy-3-methyl-3a,4,5,6-tetrahydro-1H-cyclopenta[b]pyrrol-2-one
CID 10014760
3-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-hydroxy-5-methyl-1H-pyrrol-2-one?
The IUPAC name of 5-benzyl-4-hydroxy-5-methyl-1H-pyrrol-2-one (CID 69072538) is 5-benzyl-4-hydroxy-5-methyl-1H-pyrrol-2-one.
What is the SMILES notation for 5-benzyl-4-hydroxy-5-methyl-1H-pyrrol-2-one?
The canonical SMILES for 5-benzyl-4-hydroxy-5-methyl-1H-pyrrol-2-one is CC1(Cc2ccccc2)NC(=O)C=C1O.
What is the InChIKey of 5-benzyl-4-hydroxy-5-methyl-1H-pyrrol-2-one?
The InChIKey is JHTFABBYKMMAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-12(10(14)7-11(15)13-12)8-9-5-3-2-4-6-9/h2-7,14H,8H2,1H3,(H,13,15).
What are the key properties of 5-benzyl-4-hydroxy-5-methyl-1H-pyrrol-2-one?
5-benzyl-4-hydroxy-5-methyl-1H-pyrrol-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-hydroxy-5-methyl-1H-pyrrol-2-one is sourced from PubChem (CID 69072538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).