N-methyl-N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H19F3N2O2 — CID 82738212

IUPACN-methyl-N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC1OCCC1N(C)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H19F3N2O2/c1-8-9(3-6-19-8)17(2)10(18)11(12(13,14)15)4-5-16-7-11/h8-9,16H,3-7H2,1-2H3
InChIKeyDHOUKCLEOMOXSI-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.16
Rot. Bonds2

About N-methyl-N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-methyl-N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 82738212) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-methyl-N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID82738212
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC NameN-methyl-N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC1OCCC1N(C)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H19F3N2O2/c1-8-9(3-6-19-8)17(2)10(18)11(12(13,14)15)4-5-16-7-11/h8-9,16H,3-7H2,1-2H3
InChIKeyDHOUKCLEOMOXSI-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 82738212) is N-methyl-N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CC1OCCC1N(C)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-methyl-N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is DHOUKCLEOMOXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-8-9(3-6-19-8)17(2)10(18)11(12(13,14)15)4-5-16-7-11/h8-9,16H,3-7H2,1-2H3.
What are the key properties of N-methyl-N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-methyl-N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 82738212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).