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

C12H19F3N2O — CID 79211124

IUPAC4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C1C=CC(N)C1
InChIInChI=1S/C12H19F3N2O/c1-8(2)6-17(7-12(13,14)15)11(18)9-3-4-10(16)5-9/h3-4,8-10H,5-7,16H2,1-2H3
InChIKeyVOPSTPKNWXVDHK-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.94
Rot. Bonds4

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

4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79211124) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
PubChem CID79211124
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C1C=CC(N)C1
InChIInChI=1S/C12H19F3N2O/c1-8(2)6-17(7-12(13,14)15)11(18)9-3-4-10(16)5-9/h3-4,8-10H,5-7,16H2,1-2H3
InChIKeyVOPSTPKNWXVDHK-UHFFFAOYSA-N
XLogP1.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.94
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-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide (CID 79211124) is 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide is CC(C)CN(CC(F)(F)F)C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is VOPSTPKNWXVDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-8(2)6-17(7-12(13,14)15)11(18)9-3-4-10(16)5-9/h3-4,8-10H,5-7,16H2,1-2H3.
What are the key properties of 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 264.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79211124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).