N-ethyl-N-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H19F3N2O — CID 63708750

IUPACN-ethyl-N-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESC=C(C)CN(CC)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H19F3N2O/c1-4-17(7-9(2)3)10(18)11(12(13,14)15)5-6-16-8-11/h16H,2,4-8H2,1,3H3
InChIKeyVZVUTMJGNVVTRJ-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.95
Rot. Bonds4

About N-ethyl-N-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-ethyl-N-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63708750) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is N-ethyl-N-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63708750
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC NameN-ethyl-N-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESC=C(C)CN(CC)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H19F3N2O/c1-4-17(7-9(2)3)10(18)11(12(13,14)15)5-6-16-8-11/h16H,2,4-8H2,1,3H3
InChIKeyVZVUTMJGNVVTRJ-UHFFFAOYSA-N
XLogP1.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63708750) is N-ethyl-N-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is C=C(C)CN(CC)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-ethyl-N-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is VZVUTMJGNVVTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-4-17(7-9(2)3)10(18)11(12(13,14)15)5-6-16-8-11/h16H,2,4-8H2,1,3H3.
What are the key properties of N-ethyl-N-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-ethyl-N-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 264.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63708750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).