(4R)-4-(methoxymethyl)-1-[(1R)-1-phenylethyl]-4-prop-2-enylpyrrolidin-2-one

C17H23NO2 — CID 67490961

IUPAC(4R)-4-(methoxymethyl)-1-[(1R)-1-phenylethyl]-4-prop-2-enylpyrrolidin-2-one
SMILESC=CC[C@@]1(COC)CC(=O)N([C@H](C)c2ccccc2)C1
InChIInChI=1S/C17H23NO2/c1-4-10-17(13-20-3)11-16(19)18(12-17)14(2)15-8-6-5-7-9-15/h4-9,14H,1,10-13H2,2-3H3/t14-,17-/m1/s1
InChIKeySWJOGONLMOMYAO-RHSMWYFYSA-N
MW273.38 g/mol
LogP3.19
Rot. Bonds6

About (4R)-4-(methoxymethyl)-1-[(1R)-1-phenylethyl]-4-prop-2-enylpyrrolidin-2-one

(4R)-4-(methoxymethyl)-1-[(1R)-1-phenylethyl]-4-prop-2-enylpyrrolidin-2-one (PubChem CID 67490961) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (4R)-4-(methoxymethyl)-1-[(1R)-1-phenylethyl]-4-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(methoxymethyl)-1-[(1R)-1-phenylethyl]-4-prop-2-enylpyrrolidin-2-one
PubChem CID67490961
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(4R)-4-(methoxymethyl)-1-[(1R)-1-phenylethyl]-4-prop-2-enylpyrrolidin-2-one
SMILESC=CC[C@@]1(COC)CC(=O)N([C@H](C)c2ccccc2)C1
InChIInChI=1S/C17H23NO2/c1-4-10-17(13-20-3)11-16(19)18(12-17)14(2)15-8-6-5-7-9-15/h4-9,14H,1,10-13H2,2-3H3/t14-,17-/m1/s1
InChIKeySWJOGONLMOMYAO-RHSMWYFYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-(2-bromoethyl)-4-(methoxymethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 67490858
(4R)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]-4-(phenylmethoxymethyl)pyrrolidin-2-one
CID 67490855
1-[(1R)-1-phenylethyl]-3-(prop-2-enoxymethyl)-3-prop-2-enylpiperidin-2-one
CID 146616344
tert-butyl (3S)-3-(2-formylprop-2-enyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate;tert-butyl (3S)-5-oxo-3-(3-oxopropyl)-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 162179336
methyl (1S,5R)-5-(methoxymethyl)-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane-1-carboxylate
CID 90166249
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-[(1R)-1-phenylethyl]-3-prop-2-enylpyrrolidin-2-one
CID 142700779
3-(hydroxymethyl)-1-(1-phenylethyl)-4-prop-2-enylpyrrolidin-2-one
CID 143715115
3,4-dimethyl-1-(1-phenylethyl)-2H-pyrrol-5-one
CID 20820546
tert-butyl (3S)-3-(3-hydroxypropyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 67491012
2,2-dimethyl-4-(1-phenylethyl)-1,4-diazepan-5-one
CID 117023656
(2R)-6,6-dimethyl-3-[(1S)-1-phenylethyl]-2-prop-2-enyl-1,3,2λ5-oxazaphosphinane 2-oxide
CID 10565652
(3S)-N-benzyl-3-(fluoromethyl)-N-methyl-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 54176069

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(methoxymethyl)-1-[(1R)-1-phenylethyl]-4-prop-2-enylpyrrolidin-2-one?
The IUPAC name of (4R)-4-(methoxymethyl)-1-[(1R)-1-phenylethyl]-4-prop-2-enylpyrrolidin-2-one (CID 67490961) is (4R)-4-(methoxymethyl)-1-[(1R)-1-phenylethyl]-4-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(methoxymethyl)-1-[(1R)-1-phenylethyl]-4-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-(methoxymethyl)-1-[(1R)-1-phenylethyl]-4-prop-2-enylpyrrolidin-2-one is C=CC[C@@]1(COC)CC(=O)N([C@H](C)c2ccccc2)C1.
What is the InChIKey of (4R)-4-(methoxymethyl)-1-[(1R)-1-phenylethyl]-4-prop-2-enylpyrrolidin-2-one?
The InChIKey is SWJOGONLMOMYAO-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-10-17(13-20-3)11-16(19)18(12-17)14(2)15-8-6-5-7-9-15/h4-9,14H,1,10-13H2,2-3H3/t14-,17-/m1/s1.
What are the key properties of (4R)-4-(methoxymethyl)-1-[(1R)-1-phenylethyl]-4-prop-2-enylpyrrolidin-2-one?
(4R)-4-(methoxymethyl)-1-[(1R)-1-phenylethyl]-4-prop-2-enylpyrrolidin-2-one has a molecular weight of 273.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(methoxymethyl)-1-[(1R)-1-phenylethyl]-4-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 67490961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).