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

C10H15F3N2O2 — CID 79207112

IUPAC4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)N(CCO)CC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)6-15(3-4-16)9(17)7-1-2-8(14)5-7/h1-2,7-8,16H,3-6,14H2
InChIKeyDXSIZXBFGHBXLD-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.27
Rot. Bonds4

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

4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79207112) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
PubChem CID79207112
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)N(CCO)CC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)6-15(3-4-16)9(17)7-1-2-8(14)5-7/h1-2,7-8,16H,3-6,14H2
InChIKeyDXSIZXBFGHBXLD-UHFFFAOYSA-N
XLogP0.27
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.27
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-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide (CID 79207112) is 4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)N(CCO)CC(F)(F)F)C1.
What is the InChIKey of 4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is DXSIZXBFGHBXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c11-10(12,13)6-15(3-4-16)9(17)7-1-2-8(14)5-7/h1-2,7-8,16H,3-6,14H2.
What are the key properties of 4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 252.24 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79207112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).