N,N-bis(prop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H17F3N2O — CID 63708749

IUPACN,N-bis(prop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESC=CCN(CC=C)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H17F3N2O/c1-3-7-17(8-4-2)10(18)11(12(13,14)15)5-6-16-9-11/h3-4,16H,1-2,5-9H2
InChIKeyCDMBXCBQEXOQMY-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.73
Rot. Bonds5

About N,N-bis(prop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N,N-bis(prop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63708749) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63708749
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC NameN,N-bis(prop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESC=CCN(CC=C)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H17F3N2O/c1-3-7-17(8-4-2)10(18)11(12(13,14)15)5-6-16-9-11/h3-4,16H,1-2,5-9H2
InChIKeyCDMBXCBQEXOQMY-UHFFFAOYSA-N
XLogP1.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.73
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

2-[carboxymethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid
CID 63722046
N-propyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710571
N-ethyl-N-(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227468
(3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 51647572
3-methyl-N,N-bis(prop-2-enyl)piperidine-3-carboxamide
CID 63132229
N-[2-(methylamino)-2-oxoethyl]-N-propyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710228
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79380351
N-benzyl-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708224
N-ethyl-3-methyl-N-prop-2-enylpyrrolidine-3-carboxamide
CID 81489802
2-[ethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 63720094
N-(2-prop-2-enylsulfanylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106427350
N-cyclopentyl-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227271

Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N,N-bis(prop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63708749) is N,N-bis(prop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N,N-bis(prop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N,N-bis(prop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is C=CCN(CC=C)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N,N-bis(prop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is CDMBXCBQEXOQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-3-7-17(8-4-2)10(18)11(12(13,14)15)5-6-16-9-11/h3-4,16H,1-2,5-9H2.
What are the key properties of N,N-bis(prop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N,N-bis(prop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63708749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).