N-(3-methylbut-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H17F3N2O — CID 114155599

IUPACN-(3-methylbut-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(C)=CCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H17F3N2O/c1-8(2)3-5-16-9(17)10(11(12,13)14)4-6-15-7-10/h3,15H,4-7H2,1-2H3,(H,16,17)
InChIKeyLTGOHERIDJRLAM-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.61
Rot. Bonds3

About N-(3-methylbut-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(3-methylbut-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 114155599) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID114155599
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC NameN-(3-methylbut-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(C)=CCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H17F3N2O/c1-8(2)3-5-16-9(17)10(11(12,13)14)4-6-15-7-10/h3,15H,4-7H2,1-2H3,(H,16,17)
InChIKeyLTGOHERIDJRLAM-UHFFFAOYSA-N
XLogP1.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-ethylbut-2-enamide
CID 177014715
N-[(E)-but-2-enyl]-1,1-dimethyl-4-(trifluoromethyl)pyrrolidin-1-ium-3-carboxamide
CID 178010625
1-methyl-N-prop-2-enyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 178011070
N-[(E)-but-2-enyl]-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide;ethane
CID 178011627
N-butyl-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227086
N-(3-methylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227264
N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227266
N-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227644
3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 63138735
N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 63142242
N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 63143973
3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 63144015

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-methylbut-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 114155599) is N-(3-methylbut-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-methylbut-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-methylbut-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CC(C)=CCNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(3-methylbut-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is LTGOHERIDJRLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-8(2)3-5-16-9(17)10(11(12,13)14)4-6-15-7-10/h3,15H,4-7H2,1-2H3,(H,16,17).
What are the key properties of N-(3-methylbut-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(3-methylbut-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 250.26 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 114155599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).