(5R)-1-(2-tert-butylphenyl)-5-(methoxymethyl)pyrrolidin-2-one

C16H23NO2 — CID 10869053

IUPAC(5R)-1-(2-tert-butylphenyl)-5-(methoxymethyl)pyrrolidin-2-one
SMILESCOC[C@H]1CCC(=O)N1c1ccccc1C(C)(C)C
InChIInChI=1S/C16H23NO2/c1-16(2,3)13-7-5-6-8-14(13)17-12(11-19-4)9-10-15(17)18/h5-8,12H,9-11H2,1-4H3/t12-/m1/s1
InChIKeyWBLSRMHYZVZTGS-GFCCVEGCSA-N
MW261.37 g/mol
LogP3.13
Rot. Bonds3

About (5R)-1-(2-tert-butylphenyl)-5-(methoxymethyl)pyrrolidin-2-one

(5R)-1-(2-tert-butylphenyl)-5-(methoxymethyl)pyrrolidin-2-one (PubChem CID 10869053) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (5R)-1-(2-tert-butylphenyl)-5-(methoxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-(2-tert-butylphenyl)-5-(methoxymethyl)pyrrolidin-2-one
PubChem CID10869053
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(5R)-1-(2-tert-butylphenyl)-5-(methoxymethyl)pyrrolidin-2-one
SMILESCOC[C@H]1CCC(=O)N1c1ccccc1C(C)(C)C
InChIInChI=1S/C16H23NO2/c1-16(2,3)13-7-5-6-8-14(13)17-12(11-19-4)9-10-15(17)18/h5-8,12H,9-11H2,1-4H3/t12-/m1/s1
InChIKeyWBLSRMHYZVZTGS-GFCCVEGCSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1'-(Cyclopropylmethyl)-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one
CID 118744628
5-[[(2R)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxy]pentanoic acid
CID 11855322
(2-methyl-2,3-dihydro-1H-indol-1-yl)(tetrahydrofuran-2-yl)methanone
CID 2970724
1-ethyl-1'-(methoxyacetyl)spiro[indole-3,4'-piperidin]-2(1H)-one
CID 91914365
1-(2,3-dihydro-1H-indol-1-yl)-2-(oxan-4-yl)ethan-1-one
CID 91918177
1-[2-(Propan-2-yl)phenyl]pyrrolidin-2-one
CID 57847385
(2S)-N-ethyl-N-(2-methylphenyl)oxolane-2-carboxamide
CID 7369786
5-methoxy-N-methyl-N-(3-propan-2-ylphenyl)pentanamide
CID 86812847
1-methyl-1'-[[(2R)-oxolan-2-yl]methyl]spiro[indole-3,4'-piperidine]-2-one
CID 95724009
(7-methyl-2,3-dihydroindol-1-yl)-[(2R,3R)-3-propan-2-yloxolan-2-yl]methanone
CID 132358645
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-ethynyl-5-fluorophenyl)pyrrolidin-2-one
CID 58703936
4-Fluoro-1-(4-hexylphenyl)-5-(pentoxymethyl)pyrrolidin-2-one
CID 126713695

Frequently Asked Questions

What is the IUPAC name of (5R)-1-(2-tert-butylphenyl)-5-(methoxymethyl)pyrrolidin-2-one?
The IUPAC name of (5R)-1-(2-tert-butylphenyl)-5-(methoxymethyl)pyrrolidin-2-one (CID 10869053) is (5R)-1-(2-tert-butylphenyl)-5-(methoxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-(2-tert-butylphenyl)-5-(methoxymethyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-1-(2-tert-butylphenyl)-5-(methoxymethyl)pyrrolidin-2-one is COC[C@H]1CCC(=O)N1c1ccccc1C(C)(C)C.
What is the InChIKey of (5R)-1-(2-tert-butylphenyl)-5-(methoxymethyl)pyrrolidin-2-one?
The InChIKey is WBLSRMHYZVZTGS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2,3)13-7-5-6-8-14(13)17-12(11-19-4)9-10-15(17)18/h5-8,12H,9-11H2,1-4H3/t12-/m1/s1.
What are the key properties of (5R)-1-(2-tert-butylphenyl)-5-(methoxymethyl)pyrrolidin-2-one?
(5R)-1-(2-tert-butylphenyl)-5-(methoxymethyl)pyrrolidin-2-one has a molecular weight of 261.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(2-tert-butylphenyl)-5-(methoxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 10869053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).