(4R)-1-benzyl-4-hydroxy-4-methylpyrrolidin-2-one

C12H15NO2 — CID 98042329

IUPAC(4R)-1-benzyl-4-hydroxy-4-methylpyrrolidin-2-one
SMILESC[C@@]1(O)CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C12H15NO2/c1-12(15)7-11(14)13(9-12)8-10-5-3-2-4-6-10/h2-6,15H,7-9H2,1H3/t12-/m1/s1
InChIKeyLJVCQYFALBFLAT-GFCCVEGCSA-N
MW205.26 g/mol
LogP1.17
Rot. Bonds2

About (4R)-1-benzyl-4-hydroxy-4-methylpyrrolidin-2-one

(4R)-1-benzyl-4-hydroxy-4-methylpyrrolidin-2-one (PubChem CID 98042329) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (4R)-1-benzyl-4-hydroxy-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-benzyl-4-hydroxy-4-methylpyrrolidin-2-one
PubChem CID98042329
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(4R)-1-benzyl-4-hydroxy-4-methylpyrrolidin-2-one
SMILESC[C@@]1(O)CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C12H15NO2/c1-12(15)7-11(14)13(9-12)8-10-5-3-2-4-6-10/h2-6,15H,7-9H2,1H3/t12-/m1/s1
InChIKeyLJVCQYFALBFLAT-GFCCVEGCSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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ethyl 1-benzyl-3-(hydroxymethyl)-5-oxopyrrolidine-3-carboxylate
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1-benzyl-3-methylazetidin-3-ol;hydrochloride
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(3R,4S)-1-benzyl-4-hydroxy-3,5,5-trimethylpiperidin-2-one
CID 102330721
3-benzyl-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2-one
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2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
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(3R,4R)-1-benzyl-4-hydroxy-4-methyl-3-pentan-3-ylpiperidin-2-one
CID 102520464
(4R,5R)-7-benzyl-4-hydroxy-4-methyl-7-azaspiro[4.5]decan-6-one
CID 102522516
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
5-benzyl-5-azaspiro[2.3]hexan-6-one
CID 11492070
1-benzyl-3,3-dimethyl-4-methylidenepyrrolidin-2-one
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CID 118666320

Frequently Asked Questions

What is the IUPAC name of (4R)-1-benzyl-4-hydroxy-4-methylpyrrolidin-2-one?
The IUPAC name of (4R)-1-benzyl-4-hydroxy-4-methylpyrrolidin-2-one (CID 98042329) is (4R)-1-benzyl-4-hydroxy-4-methylpyrrolidin-2-one.
What is the SMILES notation for (4R)-1-benzyl-4-hydroxy-4-methylpyrrolidin-2-one?
The canonical SMILES for (4R)-1-benzyl-4-hydroxy-4-methylpyrrolidin-2-one is C[C@@]1(O)CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of (4R)-1-benzyl-4-hydroxy-4-methylpyrrolidin-2-one?
The InChIKey is LJVCQYFALBFLAT-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(15)7-11(14)13(9-12)8-10-5-3-2-4-6-10/h2-6,15H,7-9H2,1H3/t12-/m1/s1.
What are the key properties of (4R)-1-benzyl-4-hydroxy-4-methylpyrrolidin-2-one?
(4R)-1-benzyl-4-hydroxy-4-methylpyrrolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-benzyl-4-hydroxy-4-methylpyrrolidin-2-one is sourced from PubChem (CID 98042329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).