4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide

C13H19F3N2O — CID 79210961

IUPAC4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)C1C=CC(N)C1
InChIInChI=1S/C13H19F3N2O/c1-8(9-2-3-9)18(7-13(14,15)16)12(19)10-4-5-11(17)6-10/h4-5,8-11H,2-3,6-7,17H2,1H3
InChIKeyNPPXMYJAFMENCD-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.08
Rot. Bonds4

About 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79210961) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
PubChem CID79210961
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)C1C=CC(N)C1
InChIInChI=1S/C13H19F3N2O/c1-8(9-2-3-9)18(7-13(14,15)16)12(19)10-4-5-11(17)6-10/h4-5,8-11H,2-3,6-7,17H2,1H3
InChIKeyNPPXMYJAFMENCD-UHFFFAOYSA-N
XLogP2.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide (CID 79210961) is 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide is CC(C1CC1)N(CC(F)(F)F)C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is NPPXMYJAFMENCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-8(9-2-3-9)18(7-13(14,15)16)12(19)10-4-5-11(17)6-10/h4-5,8-11H,2-3,6-7,17H2,1H3.
What are the key properties of 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).