(5R)-1-[(3-methoxyphenyl)methyl]-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one

C14H16F3NO2 — CID 102390311

IUPAC(5R)-1-[(3-methoxyphenyl)methyl]-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one
SMILESCOc1cccc(CN2C(=O)C(C)C[C@@H]2C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO2/c1-9-6-12(14(15,16)17)18(13(9)19)8-10-4-3-5-11(7-10)20-2/h3-5,7,9,12H,6,8H2,1-2H3/t9?,12-/m1/s1
InChIKeyBUUTYVJYTFGKMO-FFFFSGIJSA-N
MW287.28 g/mol
LogP2.99
Rot. Bonds3

About (5R)-1-[(3-methoxyphenyl)methyl]-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one

(5R)-1-[(3-methoxyphenyl)methyl]-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one (PubChem CID 102390311) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is (5R)-1-[(3-methoxyphenyl)methyl]-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-[(3-methoxyphenyl)methyl]-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one
PubChem CID102390311
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name(5R)-1-[(3-methoxyphenyl)methyl]-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one
SMILESCOc1cccc(CN2C(=O)C(C)C[C@@H]2C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO2/c1-9-6-12(14(15,16)17)18(13(9)19)8-10-4-3-5-11(7-10)20-2/h3-5,7,9,12H,6,8H2,1-2H3/t9?,12-/m1/s1
InChIKeyBUUTYVJYTFGKMO-FFFFSGIJSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[(3-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64902779
5-(2,6-dimethoxyphenyl)-1-[[4-methoxy-3-(trifluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-2-one
CID 69081747
4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]azetidin-2-one
CID 10924467
(5S)-5-ethenyl-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 57242076
3-[(3-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one
CID 23762836
3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 82481104
1-ethyl-3-[(3-methoxyphenyl)methyl]imidazol-2-one
CID 116624332
(3S,6R)-6-[(1S)-1-hydroxyethyl]-1-[(3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 95735484
N-[1-[(3-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 58859976
1-[(3-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 63863142
1-[(3-methoxyphenyl)methyl]piperazine-2,6-dione
CID 66063818
3-amino-1-[(3-methoxyphenyl)methyl]-3H-indol-2-one
CID 43254974

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[(3-methoxyphenyl)methyl]-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one?
The IUPAC name of (5R)-1-[(3-methoxyphenyl)methyl]-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one (CID 102390311) is (5R)-1-[(3-methoxyphenyl)methyl]-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-[(3-methoxyphenyl)methyl]-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-1-[(3-methoxyphenyl)methyl]-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one is COc1cccc(CN2C(=O)C(C)C[C@@H]2C(F)(F)F)c1.
What is the InChIKey of (5R)-1-[(3-methoxyphenyl)methyl]-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one?
The InChIKey is BUUTYVJYTFGKMO-FFFFSGIJSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-9-6-12(14(15,16)17)18(13(9)19)8-10-4-3-5-11(7-10)20-2/h3-5,7,9,12H,6,8H2,1-2H3/t9?,12-/m1/s1.
What are the key properties of (5R)-1-[(3-methoxyphenyl)methyl]-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one?
(5R)-1-[(3-methoxyphenyl)methyl]-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one has a molecular weight of 287.28 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[(3-methoxyphenyl)methyl]-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 102390311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).