(5R)-5-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

C12H15NO3 — CID 124629774

IUPAC(5R)-5-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(CN2C(=O)CC[C@H]2O)cc1
InChIInChI=1S/C12H15NO3/c1-16-10-4-2-9(3-5-10)8-13-11(14)6-7-12(13)15/h2-5,11,14H,6-8H2,1H3/t11-/m1/s1
InChIKeyWILVVGIAGPPBKK-LLVKDONJSA-N
MW221.26 g/mol
LogP1.14
Rot. Bonds3

About (5R)-5-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

(5R)-5-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 124629774) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (5R)-5-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID124629774
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(5R)-5-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(CN2C(=O)CC[C@H]2O)cc1
InChIInChI=1S/C12H15NO3/c1-16-10-4-2-9(3-5-10)8-13-11(14)6-7-12(13)15/h2-5,11,14H,6-8H2,1H3/t11-/m1/s1
InChIKeyWILVVGIAGPPBKK-LLVKDONJSA-N
XLogP1.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-6-hydroxy-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-one
CID 139805560
1-[(4-methoxyphenyl)methyl]-5-prop-2-enylpyrrolidin-2-one
CID 102168019
N'-[(4-hydroxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboximidamide
CID 174937980
ethyl (1R,6R,7R)-2-[(4-methoxyphenyl)methyl]-3-oxo-2-azabicyclo[4.1.0]heptane-7-carboxylate
CID 102388232
1-[(4-methoxyphenyl)methyl]-N'-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboximidamide
CID 146469723
(2S)-N'-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboximidamide;hydrochloride
CID 155534976
ethyl (4aR,8aR)-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4,4a,5,6,8a-hexahydroquinoline-7-carboxylate
CID 56954559
(2S)-1-[(4-fluorophenyl)methyl]-N'-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboximidamide;hydrochloride
CID 155537989
4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 23254565
5-(bromomethyl)-1-[(4-methoxyphenyl)methyl]-6-phenylpiperidin-2-one
CID 122621996
(5S,6S)-6-ethyl-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one
CID 102479868
(5S,6R)-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one
CID 11235798

Frequently Asked Questions

What is the IUPAC name of (5R)-5-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (CID 124629774) is (5R)-5-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is COc1ccc(CN2C(=O)CC[C@H]2O)cc1.
What is the InChIKey of (5R)-5-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is WILVVGIAGPPBKK-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15NO3/c1-16-10-4-2-9(3-5-10)8-13-11(14)6-7-12(13)15/h2-5,11,14H,6-8H2,1H3/t11-/m1/s1.
What are the key properties of (5R)-5-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
(5R)-5-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 124629774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).