4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopent-2-ene-1-carboxamide

C13H20F3N3O — CID 79210952

IUPAC4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCC2CCN(CC(F)(F)F)C2)C1
InChIInChI=1S/C13H20F3N3O/c14-13(15,16)8-19-4-3-9(7-19)6-18-12(20)10-1-2-11(17)5-10/h1-2,9-11H,3-8,17H2,(H,18,20)
InChIKeyUOZIWXIRHUDVNO-UHFFFAOYSA-N
MW291.32 g/mol
LogP0.89
Rot. Bonds4

About 4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopent-2-ene-1-carboxamide

4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopent-2-ene-1-carboxamide (PubChem CID 79210952) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopent-2-ene-1-carboxamide
PubChem CID79210952
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCC2CCN(CC(F)(F)F)C2)C1
InChIInChI=1S/C13H20F3N3O/c14-13(15,16)8-19-4-3-9(7-19)6-18-12(20)10-1-2-11(17)5-10/h1-2,9-11H,3-8,17H2,(H,18,20)
InChIKeyUOZIWXIRHUDVNO-UHFFFAOYSA-N
XLogP0.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 50.89
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-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopent-2-ene-1-carboxamide (CID 79210952) is 4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)NCC2CCN(CC(F)(F)F)C2)C1.
What is the InChIKey of 4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is UOZIWXIRHUDVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c14-13(15,16)8-19-4-3-9(7-19)6-18-12(20)10-1-2-11(17)5-10/h1-2,9-11H,3-8,17H2,(H,18,20).
What are the key properties of 4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopent-2-ene-1-carboxamide?
4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopent-2-ene-1-carboxamide has a molecular weight of 291.32 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).