1-methyl-N-[[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-5-oxopyrrolidine-2-carboxamide

C15H19F3N2O2 — CID 162555050

IUPAC1-methyl-N-[[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC1C(CNC(=O)C2CCC(=O)N2C)=CC=CC1C(F)(F)F
InChIInChI=1S/C15H19F3N2O2/c1-9-10(4-3-5-11(9)15(16,17)18)8-19-14(22)12-6-7-13(21)20(12)2/h3-5,9,11-12H,6-8H2,1-2H3,(H,19,22)
InChIKeyCOVFJVCDBFRRDG-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.03
Rot. Bonds3

About 1-methyl-N-[[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-5-oxopyrrolidine-2-carboxamide

1-methyl-N-[[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 162555050) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 1-methyl-N-[[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID162555050
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name1-methyl-N-[[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC1C(CNC(=O)C2CCC(=O)N2C)=CC=CC1C(F)(F)F
InChIInChI=1S/C15H19F3N2O2/c1-9-10(4-3-5-11(9)15(16,17)18)8-19-14(22)12-6-7-13(21)20(12)2/h3-5,9,11-12H,6-8H2,1-2H3,(H,19,22)
InChIKeyCOVFJVCDBFRRDG-UHFFFAOYSA-N
XLogP2.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-methyl-N-[[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-5-oxopyrrolidine-2-carboxamide (CID 162555050) is 1-methyl-N-[[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-methyl-N-[[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-5-oxopyrrolidine-2-carboxamide is CC1C(CNC(=O)C2CCC(=O)N2C)=CC=CC1C(F)(F)F.
What is the InChIKey of 1-methyl-N-[[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is COVFJVCDBFRRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-9-10(4-3-5-11(9)15(16,17)18)8-19-14(22)12-6-7-13(21)20(12)2/h3-5,9,11-12H,6-8H2,1-2H3,(H,19,22).
What are the key properties of 1-methyl-N-[[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-5-oxopyrrolidine-2-carboxamide?
1-methyl-N-[[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 162555050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).