1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one

C15H15F3N2O2 — CID 7802599

IUPAC1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)c(C)n1C
InChIInChI=1S/C15H15F3N2O2/c1-9-6-12(10(2)19(9)3)13(21)8-20-7-11(15(16,17)18)4-5-14(20)22/h4-7H,8H2,1-3H3
InChIKeyTWXAWHIKSJHOGR-UHFFFAOYSA-N
MW312.29 g/mol
LogP2.71
Rot. Bonds3

About 1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 7802599) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is 1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID7802599
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC Name1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)c(C)n1C
InChIInChI=1S/C15H15F3N2O2/c1-9-6-12(10(2)19(9)3)13(21)8-20-7-11(15(16,17)18)4-5-14(20)22/h4-7H,8H2,1-3H3
InChIKeyTWXAWHIKSJHOGR-UHFFFAOYSA-N
XLogP2.71
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 7802597
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 702585
6-amino-1,3-dimethyl-5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrimidine-2,4-dione
CID 26687187
6-methyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrimidin-4-one
CID 62024148
N-[[4-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]methyl]acetamide
CID 17409636
N-(2,4-dimethylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2623835
1-(2-bromoethyl)-5-(trifluoromethyl)pyridin-2-one
CID 63279616
2-(3-chloroindol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 62804114
1-[2-(aminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one
CID 103072409
1-(5-hydroxyhexyl)-5-(trifluoromethyl)pyridin-2-one
CID 63280127
1-[2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 133115802
N-(3,5-dimethoxyphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2109103

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one (CID 7802599) is 1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one is Cc1cc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)c(C)n1C.
What is the InChIKey of 1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is TWXAWHIKSJHOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c1-9-6-12(10(2)19(9)3)13(21)8-20-7-11(15(16,17)18)4-5-14(20)22/h4-7H,8H2,1-3H3.
What are the key properties of 1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 312.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 7802599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).