6-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one

C14H17F3N2O2 — CID 72898509

IUPAC6-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)cc(=O)n1C(C)C(=O)N1CCCC1
InChIInChI=1S/C14H17F3N2O2/c1-9-7-11(14(15,16)17)8-12(20)19(9)10(2)13(21)18-5-3-4-6-18/h7-8,10H,3-6H2,1-2H3
InChIKeyIENDLVIGPOMCDZ-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.36
Rot. Bonds2

About 6-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one

6-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one (PubChem CID 72898509) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 6-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name6-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one
PubChem CID72898509
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name6-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)cc(=O)n1C(C)C(=O)N1CCCC1
InChIInChI=1S/C14H17F3N2O2/c1-9-7-11(14(15,16)17)8-12(20)19(9)10(2)13(21)18-5-3-4-6-18/h7-8,10H,3-6H2,1-2H3
InChIKeyIENDLVIGPOMCDZ-UHFFFAOYSA-N
XLogP2.36
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopenten-1-yl)-N-ethyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 8894038
1-(2-Oxo-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one
CID 8894181
4,6-Dimethyl-2-oxo-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1,2-dihydropyridine-3-carbonitrile
CID 6463590
6-methyl-7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one
CID 59284256
2-[3-Acetamido-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanamide
CID 141104540
3-Ethyl-4-(fluoroamino)-1-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]pyridin-2-one
CID 156262039
1-[(3S)-6-(difluoromethyl)-1-methyl-2-oxo-3,4-dihydropyridin-3-yl]-3-ethenyl-4-methylpyrrole-2,5-dione
CID 163701652
3-Amino-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-5-(trifluoromethyl)pyridin-2-one
CID 164559454
1-[2-(Dimethylamino)ethyl]-3-methyl-4,6-bis(trifluoromethyl)pyridin-2-one;ethane
CID 177030591
1-[2-[3-(Dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 72122363
1-[2-[3-(Dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 72122370
N,N-dimethyl-2-[6-methyl-2-oxo-4-(trifluoromethyl)pyridin-1(2H)-yl]acetamide
CID 72869308

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 6-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one (CID 72898509) is 6-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 6-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 6-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one is Cc1cc(C(F)(F)F)cc(=O)n1C(C)C(=O)N1CCCC1.
What is the InChIKey of 6-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is IENDLVIGPOMCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-9-7-11(14(15,16)17)8-12(20)19(9)10(2)13(21)18-5-3-4-6-18/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 6-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one?
6-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 302.30 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 72898509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).