(3S)-3-hydroxy-1-[(4-methylphenyl)methyl]pyrrolidin-2-one

C12H15NO2 — CID 118207331

IUPAC(3S)-3-hydroxy-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CN2CC[C@H](O)C2=O)cc1
InChIInChI=1S/C12H15NO2/c1-9-2-4-10(5-3-9)8-13-7-6-11(14)12(13)15/h2-5,11,14H,6-8H2,1H3/t11-/m0/s1
InChIKeyBTRFRJNFIUTECF-NSHDSACASA-N
MW205.26 g/mol
LogP1.09
Rot. Bonds2

About (3S)-3-hydroxy-1-[(4-methylphenyl)methyl]pyrrolidin-2-one

(3S)-3-hydroxy-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (PubChem CID 118207331) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (3S)-3-hydroxy-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
PubChem CID118207331
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(3S)-3-hydroxy-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CN2CC[C@H](O)C2=O)cc1
InChIInChI=1S/C12H15NO2/c1-9-2-4-10(5-3-9)8-13-7-6-11(14)12(13)15/h2-5,11,14H,6-8H2,1H3/t11-/m0/s1
InChIKeyBTRFRJNFIUTECF-NSHDSACASA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 59741196
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 26365979
tert-butyl 2-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]acetate
CID 58550089
(3S)-3-[3-(4-hydroxyphenyl)azetidin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 118207585
2-[(4-methylphenyl)methyl]-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
CID 79918530
3-[4-(5-hydroxypyrimidin-2-yl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 129031049
4-(3-cyclopropylpropanoyl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 50971487
3-(3,3-difluoropiperidin-1-yl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 144885940
1-[4-(methoxymethyl)phenyl]-3-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]urea
CID 119049842
1-[(4-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64879368
(3R)-3-[(4R)-3,3-difluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;(3R)-3-[(4S)-3,3-difluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;(3S)-3-[(4R)-3,3-difluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;(3S)-3-[(4S)-3,3-difluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 158109908
1,3-dibenzyl-5-hydroxy-4-[(4-hydroxyphenyl)methyl]-1,3-diazepan-2-one;4-methylphenol
CID 142959508

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-hydroxy-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (CID 118207331) is (3S)-3-hydroxy-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-hydroxy-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-hydroxy-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is Cc1ccc(CN2CC[C@H](O)C2=O)cc1.
What is the InChIKey of (3S)-3-hydroxy-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is BTRFRJNFIUTECF-NSHDSACASA-N. The full InChI is InChI=1S/C12H15NO2/c1-9-2-4-10(5-3-9)8-13-7-6-11(14)12(13)15/h2-5,11,14H,6-8H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-3-hydroxy-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
(3S)-3-hydroxy-1-[(4-methylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 118207331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).