N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C10H17F3N2O2 — CID 63708974

IUPACN-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(O)CN(C)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H17F3N2O2/c1-7(16)5-15(2)8(17)9(10(11,12)13)3-4-14-6-9/h7,14,16H,3-6H2,1-2H3
InChIKeyXSJSCPQXHSMTST-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.37
Rot. Bonds3

About N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63708974) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63708974
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(O)CN(C)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H17F3N2O2/c1-7(16)5-15(2)8(17)9(10(11,12)13)3-4-14-6-9/h7,14,16H,3-6H2,1-2H3
InChIKeyXSJSCPQXHSMTST-UHFFFAOYSA-N
XLogP0.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63708974) is N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CC(O)CN(C)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is XSJSCPQXHSMTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-7(16)5-15(2)8(17)9(10(11,12)13)3-4-14-6-9/h7,14,16H,3-6H2,1-2H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63708974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).