N-pent-4-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H17F3N2O — CID 114264860

IUPACN-pent-4-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESC=CCCCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H17F3N2O/c1-2-3-4-6-16-9(17)10(11(12,13)14)5-7-15-8-10/h2,15H,1,3-8H2,(H,16,17)
InChIKeyXVAQGHAPDKGXKC-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.61
Rot. Bonds5

About N-pent-4-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-pent-4-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 114264860) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is N-pent-4-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-pent-4-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID114264860
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC NameN-pent-4-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESC=CCCCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H17F3N2O/c1-2-3-4-6-16-9(17)10(11(12,13)14)5-7-15-8-10/h2,15H,1,3-8H2,(H,16,17)
InChIKeyXVAQGHAPDKGXKC-UHFFFAOYSA-N
XLogP1.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Ethenyl-3,3-difluoropyrrolidin-2-one
CID 152440861
N-(cyclohex-3-en-1-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227652
N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708579
N,N-bis(prop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708749
N-ethyl-N-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708750
N-propan-2-yl-N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709693
(4-Prop-2-enylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63710582
N-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710761
N-(4-aminobutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710762
N-cyclohex-3-en-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 65700477
N-methyl-N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 81808787
N-ethyl-N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 81808998

Frequently Asked Questions

What is the IUPAC name of N-pent-4-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-pent-4-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 114264860) is N-pent-4-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-pent-4-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-pent-4-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is C=CCCCNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-pent-4-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is XVAQGHAPDKGXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-2-3-4-6-16-9(17)10(11(12,13)14)5-7-15-8-10/h2,15H,1,3-8H2,(H,16,17).
What are the key properties of N-pent-4-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-pent-4-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 250.26 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 114264860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).