2-(cyclopent-3-en-1-ylamino)-N-(2,2,2-trifluoroethyl)propanamide

C10H15F3N2O — CID 115695298

IUPAC2-(cyclopent-3-en-1-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC1CC=CC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-7(15-8-4-2-3-5-8)9(16)14-6-10(11,12)13/h2-3,7-8,15H,4-6H2,1H3,(H,14,16)
InChIKeyASGUUNLKHACYFK-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.36
Rot. Bonds4

About 2-(cyclopent-3-en-1-ylamino)-N-(2,2,2-trifluoroethyl)propanamide

2-(cyclopent-3-en-1-ylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115695298) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-(cyclopent-3-en-1-ylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(cyclopent-3-en-1-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115695298
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name2-(cyclopent-3-en-1-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC1CC=CC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-7(15-8-4-2-3-5-8)9(16)14-6-10(11,12)13/h2-3,7-8,15H,4-6H2,1H3,(H,14,16)
InChIKeyASGUUNLKHACYFK-UHFFFAOYSA-N
XLogP1.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.36
H-Bond Donors ≤ 52
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 2-(cyclopent-3-en-1-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(cyclopent-3-en-1-ylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 115695298) is 2-(cyclopent-3-en-1-ylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(cyclopent-3-en-1-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(cyclopent-3-en-1-ylamino)-N-(2,2,2-trifluoroethyl)propanamide is CC(NC1CC=CC1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(cyclopent-3-en-1-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is ASGUUNLKHACYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-7(15-8-4-2-3-5-8)9(16)14-6-10(11,12)13/h2-3,7-8,15H,4-6H2,1H3,(H,14,16).
What are the key properties of 2-(cyclopent-3-en-1-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
2-(cyclopent-3-en-1-ylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 236.24 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopent-3-en-1-ylamino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115695298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).