N-but-3-enyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C11H15F3N2O2 — CID 113465961

IUPACN-but-3-enyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESC=CCCNC(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C11H15F3N2O2/c1-2-3-4-15-10(18)8-5-9(17)16(6-8)7-11(12,13)14/h2,8H,1,3-7H2,(H,15,18)
InChIKeyQTPSNQXXIUAXAI-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.09
Rot. Bonds5

About N-but-3-enyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-but-3-enyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 113465961) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is N-but-3-enyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-but-3-enyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID113465961
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC NameN-but-3-enyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESC=CCCNC(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C11H15F3N2O2/c1-2-3-4-15-10(18)8-5-9(17)16(6-8)7-11(12,13)14/h2,8H,1,3-7H2,(H,15,18)
InChIKeyQTPSNQXXIUAXAI-UHFFFAOYSA-N
XLogP1.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-but-3-enyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 113465961) is N-but-3-enyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-but-3-enyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-but-3-enyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is C=CCCNC(=O)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of N-but-3-enyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is QTPSNQXXIUAXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-2-3-4-15-10(18)8-5-9(17)16(6-8)7-11(12,13)14/h2,8H,1,3-7H2,(H,15,18).
What are the key properties of N-but-3-enyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-but-3-enyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 264.25 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113465961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).