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

C11H15F3N2O — CID 79208374

IUPAC4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)N(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)6-16(9-3-4-9)10(17)7-1-2-8(15)5-7/h1-2,7-9H,3-6,15H2
InChIKeyCVJBAWUZNABSMN-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.44
Rot. Bonds3

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

4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79208374) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
PubChem CID79208374
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)N(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)6-16(9-3-4-9)10(17)7-1-2-8(15)5-7/h1-2,7-9H,3-6,15H2
InChIKeyCVJBAWUZNABSMN-UHFFFAOYSA-N
XLogP1.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.44
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-cyclopropyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide (CID 79208374) is 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)N(CC(F)(F)F)C2CC2)C1.
What is the InChIKey of 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is CVJBAWUZNABSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c12-11(13,14)6-16(9-3-4-9)10(17)7-1-2-8(15)5-7/h1-2,7-9H,3-6,15H2.
What are the key properties of 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 248.25 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79208374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).