N-propan-2-yl-N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H19F3N2O — CID 63709693

IUPACN-propan-2-yl-N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESC=CCN(C(=O)C1(C(F)(F)F)CCNC1)C(C)C
InChIInChI=1S/C12H19F3N2O/c1-4-7-17(9(2)3)10(18)11(12(13,14)15)5-6-16-8-11/h4,9,16H,1,5-8H2,2-3H3
InChIKeyRGQPMAUYFACICG-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.95
Rot. Bonds4

About N-propan-2-yl-N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-propan-2-yl-N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63709693) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is N-propan-2-yl-N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63709693
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC NameN-propan-2-yl-N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESC=CCN(C(=O)C1(C(F)(F)F)CCNC1)C(C)C
InChIInChI=1S/C12H19F3N2O/c1-4-7-17(9(2)3)10(18)11(12(13,14)15)5-6-16-8-11/h4,9,16H,1,5-8H2,2-3H3
InChIKeyRGQPMAUYFACICG-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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Related Compounds

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
3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55162267
N-butyl-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227086
N-pentan-2-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227263
N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227266
N-methyl-N-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227277
N-butyl-N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227459
N-cyclopropyl-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55259170
2-[methyl-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]-N-prop-2-enylacetamide
CID 60303442
N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 63142242

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-propan-2-yl-N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63709693) is N-propan-2-yl-N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-propan-2-yl-N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is C=CCN(C(=O)C1(C(F)(F)F)CCNC1)C(C)C.
What is the InChIKey of N-propan-2-yl-N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is RGQPMAUYFACICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-4-7-17(9(2)3)10(18)11(12(13,14)15)5-6-16-8-11/h4,9,16H,1,5-8H2,2-3H3.
What are the key properties of N-propan-2-yl-N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-propan-2-yl-N-prop-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-propan-2-yl-N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63709693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).