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

C11H17F3N2O — CID 79210325

IUPAC4-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1C=CC(N)C1
InChIInChI=1S/C11H17F3N2O/c1-2-5-16(7-11(12,13)14)10(17)8-3-4-9(15)6-8/h3-4,8-9H,2,5-7,15H2,1H3
InChIKeyDUUQJLODDLKBJV-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.69
Rot. Bonds4

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

4-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79210325) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
PubChem CID79210325
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name4-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1C=CC(N)C1
InChIInChI=1S/C11H17F3N2O/c1-2-5-16(7-11(12,13)14)10(17)8-3-4-9(15)6-8/h3-4,8-9H,2,5-7,15H2,1H3
InChIKeyDUUQJLODDLKBJV-UHFFFAOYSA-N
XLogP1.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide (CID 79210325) is 4-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide is CCCN(CC(F)(F)F)C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is DUUQJLODDLKBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-2-5-16(7-11(12,13)14)10(17)8-3-4-9(15)6-8/h3-4,8-9H,2,5-7,15H2,1H3.
What are the key properties of 4-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 250.26 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).