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

C11H17F3N2O2 — CID 82729433

IUPACN-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC1OCCC1NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H17F3N2O2/c1-7-8(2-5-18-7)16-9(17)10(11(12,13)14)3-4-15-6-10/h7-8,15H,2-6H2,1H3,(H,16,17)
InChIKeyFEIRCMWSWYQRSI-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.82
Rot. Bonds2

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

N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 82729433) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID82729433
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC NameN-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC1OCCC1NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H17F3N2O2/c1-7-8(2-5-18-7)16-9(17)10(11(12,13)14)3-4-15-6-10/h7-8,15H,2-6H2,1H3,(H,16,17)
InChIKeyFEIRCMWSWYQRSI-UHFFFAOYSA-N
XLogP0.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 82729433) is N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CC1OCCC1NC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is FEIRCMWSWYQRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-7-8(2-5-18-7)16-9(17)10(11(12,13)14)3-4-15-6-10/h7-8,15H,2-6H2,1H3,(H,16,17).
What are the key properties of N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 266.26 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 82729433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).