3-methyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one

C13H17NO — CID 142649009

IUPAC3-methyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
SMILESCC1CCN([C@H](C)c2ccccc2)C1=O
InChIInChI=1S/C13H17NO/c1-10-8-9-14(13(10)15)11(2)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyXKEZGLCUOWZIGB-RRKGBCIJSA-N
MW203.29 g/mol
LogP2.62
Rot. Bonds2

About 3-methyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one

3-methyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one (PubChem CID 142649009) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-methyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-methyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
PubChem CID142649009
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name3-methyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
SMILESCC1CCN([C@H](C)c2ccccc2)C1=O
InChIInChI=1S/C13H17NO/c1-10-8-9-14(13(10)15)11(2)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyXKEZGLCUOWZIGB-RRKGBCIJSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-methyl-1-[(1R)-1-phenylethyl]azepan-2-one
CID 14813890
4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one
CID 53382448
(3S)-3-(hydroxymethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 118420929
(3R)-3-amino-1-(1-phenylethyl)azepan-2-one
CID 154443959
3-[1-(2-methylphenyl)ethyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 11695230
3,4,4-trimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 70991873
3-[(2,6-dimethylphenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 11645209
(3S)-3-[(2,6-dimethylphenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 59741151
3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 11716286
(3S)-3-[(2,6-difluorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 59741145
(3S)-3-[2-(2-methylphenyl)ethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 59741264
3-hydroxy-1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrrolidin-2-one
CID 58335409

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
The IUPAC name of 3-methyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one (CID 142649009) is 3-methyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for 3-methyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for 3-methyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one is CC1CCN([C@H](C)c2ccccc2)C1=O.
What is the InChIKey of 3-methyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
The InChIKey is XKEZGLCUOWZIGB-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-8-9-14(13(10)15)11(2)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of 3-methyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
3-methyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one has a molecular weight of 203.29 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 142649009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).