1-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one

C17H22N2O3 — CID 95145336

IUPAC1-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESC[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C17H22N2O3/c1-13-10-19(17(21)12-18-9-5-8-16(18)20)11-15(22-13)14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3/t13-,15+/m1/s1
InChIKeyUSRCAALWEHWWKP-HIFRSBDPSA-N
MW302.37 g/mol
LogP1.60
Rot. Bonds3

About 1-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one

1-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 95145336) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID95145336
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESC[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C17H22N2O3/c1-13-10-19(17(21)12-18-9-5-8-16(18)20)11-15(22-13)14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3/t13-,15+/m1/s1
InChIKeyUSRCAALWEHWWKP-HIFRSBDPSA-N
XLogP1.60
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-1-[2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione
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1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 106671974
1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone
CID 47914743
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
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CID 94782920
1-[2-[2-(4-chlorophenyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 56817626
1-[2-oxo-2-[(2S)-2-phenylazetidin-1-yl]ethyl]pyrrolidin-2-one
CID 97278240
1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone
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4-(2-methylphenyl)-1-[2-(2-oxopiperidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 78085040
(2R,6R)-2-methyl-6-phenyl-N-phenylmethoxymorpholine-4-carboxamide
CID 95220454
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one (CID 95145336) is 1-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one is C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H](c2ccccc2)O1.
What is the InChIKey of 1-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is USRCAALWEHWWKP-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-13-10-19(17(21)12-18-9-5-8-16(18)20)11-15(22-13)14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3/t13-,15+/m1/s1.
What are the key properties of 1-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one?
1-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 302.37 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 95145336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).