(4R)-1-[(3-methyl-4-pyridinyl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one

C17H15F3N2O — CID 139953895

IUPAC(4R)-1-[(3-methyl-4-pyridinyl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one
SMILESCc1cnccc1CN1C[C@@H](c2cc(F)c(F)c(F)c2)CC1=O
InChIInChI=1S/C17H15F3N2O/c1-10-7-21-3-2-11(10)8-22-9-13(6-16(22)23)12-4-14(18)17(20)15(19)5-12/h2-5,7,13H,6,8-9H2,1H3/t13-/m0/s1
InChIKeyRFSDYRVOGWHOFT-ZDUSSCGKSA-N
MW320.31 g/mol
LogP3.32
Rot. Bonds3

About (4R)-1-[(3-methyl-4-pyridinyl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one

(4R)-1-[(3-methyl-4-pyridinyl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one (PubChem CID 139953895) has the molecular formula C17H15F3N2O and a molecular weight of 320.31 g/mol. Its IUPAC name is (4R)-1-[(3-methyl-4-pyridinyl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[(3-methyl-4-pyridinyl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one
PubChem CID139953895
Molecular FormulaC17H15F3N2O
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name(4R)-1-[(3-methyl-4-pyridinyl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one
SMILESCc1cnccc1CN1C[C@@H](c2cc(F)c(F)c(F)c2)CC1=O
InChIInChI=1S/C17H15F3N2O/c1-10-7-21-3-2-11(10)8-22-9-13(6-16(22)23)12-4-14(18)17(20)15(19)5-12/h2-5,7,13H,6,8-9H2,1H3/t13-/m0/s1
InChIKeyRFSDYRVOGWHOFT-ZDUSSCGKSA-N
XLogP3.32
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

Cotinine
CID 854019
(+-)-Cotinine
CID 408
(1Z)-5-Fluoro-2-methyl-N-(phenylmethyl)-1-(4-pyridinylmethylene)-1H-indene-3-acetamide hydrochloride (1:1)
CID 6445781
cotinine N-oxide
CID 9815514
4-Phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one
CID 3071506
R-(+)-Cotinine
CID 21907
Ro 23-7637
CID 129491
N-Acetylnornicotine
CID 165384
3,3-dimethyl-1-[(2S)-2-[5-(pyridin-3-yl)pentanoyl]pyrrolidin-1-yl]pentane-1,2-dione
CID 9798888
N-(cyanomethyl)-4-methyl-2-[3-(pyridin-3-yl)phenyl]pentanamide
CID 10979734
N-(3,3-Diphenyl-propyl)-2-pyridine-3-ylacetamide
CID 11976254
Sdm-8
CID 138106851

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(3-methyl-4-pyridinyl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-[(3-methyl-4-pyridinyl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one (CID 139953895) is (4R)-1-[(3-methyl-4-pyridinyl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-[(3-methyl-4-pyridinyl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-[(3-methyl-4-pyridinyl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one is Cc1cnccc1CN1C[C@@H](c2cc(F)c(F)c(F)c2)CC1=O.
What is the InChIKey of (4R)-1-[(3-methyl-4-pyridinyl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one?
The InChIKey is RFSDYRVOGWHOFT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H15F3N2O/c1-10-7-21-3-2-11(10)8-22-9-13(6-16(22)23)12-4-14(18)17(20)15(19)5-12/h2-5,7,13H,6,8-9H2,1H3/t13-/m0/s1.
What are the key properties of (4R)-1-[(3-methyl-4-pyridinyl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one?
(4R)-1-[(3-methyl-4-pyridinyl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one has a molecular weight of 320.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(3-methyl-4-pyridinyl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 139953895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).