4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopent-2-ene-1-carboxamide

C11H16F3N3O2 — CID 79210485

IUPAC4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopent-2-ene-1-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C1C=CC(N)C1
InChIInChI=1S/C11H16F3N3O2/c1-17(5-9(18)16-6-11(12,13)14)10(19)7-2-3-8(15)4-7/h2-3,7-8H,4-6,15H2,1H3,(H,16,18)
InChIKeyCHNBNJHDWSEKMN-UHFFFAOYSA-N
MW279.26 g/mol
LogP0.03
Rot. Bonds4

About 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopent-2-ene-1-carboxamide

4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopent-2-ene-1-carboxamide (PubChem CID 79210485) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopent-2-ene-1-carboxamide
PubChem CID79210485
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopent-2-ene-1-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C1C=CC(N)C1
InChIInChI=1S/C11H16F3N3O2/c1-17(5-9(18)16-6-11(12,13)14)10(19)7-2-3-8(15)4-7/h2-3,7-8H,4-6,15H2,1H3,(H,16,18)
InChIKeyCHNBNJHDWSEKMN-UHFFFAOYSA-N
XLogP0.03
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopent-2-ene-1-carboxamide (CID 79210485) is 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopent-2-ene-1-carboxamide is CN(CC(=O)NCC(F)(F)F)C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is CHNBNJHDWSEKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-17(5-9(18)16-6-11(12,13)14)10(19)7-2-3-8(15)4-7/h2-3,7-8H,4-6,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopent-2-ene-1-carboxamide?
4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopent-2-ene-1-carboxamide has a molecular weight of 279.26 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).