N-[[(1R,4R)-4-(2-amino-2-oxoethyl)cyclopent-2-en-1-yl]methyl]-2,2,2-trifluoroacetamide

C10H13F3N2O2 — CID 89472517

IUPACN-[[(1R,4R)-4-(2-amino-2-oxoethyl)cyclopent-2-en-1-yl]methyl]-2,2,2-trifluoroacetamide
SMILESNC(=O)C[C@@H]1C=C[C@H](CNC(=O)C(F)(F)F)C1
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)9(17)15-5-7-2-1-6(3-7)4-8(14)16/h1-2,6-7H,3-5H2,(H2,14,16)(H,15,17)/t6-,7+/m1/s1
InChIKeyVXMLTSIFRJQIMW-RQJHMYQMSA-N
MW250.22 g/mol
LogP0.73
Rot. Bonds4

About N-[[(1R,4R)-4-(2-amino-2-oxoethyl)cyclopent-2-en-1-yl]methyl]-2,2,2-trifluoroacetamide

N-[[(1R,4R)-4-(2-amino-2-oxoethyl)cyclopent-2-en-1-yl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 89472517) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is N-[[(1R,4R)-4-(2-amino-2-oxoethyl)cyclopent-2-en-1-yl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[(1R,4R)-4-(2-amino-2-oxoethyl)cyclopent-2-en-1-yl]methyl]-2,2,2-trifluoroacetamide
PubChem CID89472517
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC NameN-[[(1R,4R)-4-(2-amino-2-oxoethyl)cyclopent-2-en-1-yl]methyl]-2,2,2-trifluoroacetamide
SMILESNC(=O)C[C@@H]1C=C[C@H](CNC(=O)C(F)(F)F)C1
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)9(17)15-5-7-2-1-6(3-7)4-8(14)16/h1-2,6-7H,3-5H2,(H2,14,16)(H,15,17)/t6-,7+/m1/s1
InChIKeyVXMLTSIFRJQIMW-RQJHMYQMSA-N
XLogP0.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.73
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 N-[[(1R,4R)-4-(2-amino-2-oxoethyl)cyclopent-2-en-1-yl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[(1R,4R)-4-(2-amino-2-oxoethyl)cyclopent-2-en-1-yl]methyl]-2,2,2-trifluoroacetamide (CID 89472517) is N-[[(1R,4R)-4-(2-amino-2-oxoethyl)cyclopent-2-en-1-yl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[(1R,4R)-4-(2-amino-2-oxoethyl)cyclopent-2-en-1-yl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[(1R,4R)-4-(2-amino-2-oxoethyl)cyclopent-2-en-1-yl]methyl]-2,2,2-trifluoroacetamide is NC(=O)C[C@@H]1C=C[C@H](CNC(=O)C(F)(F)F)C1.
What is the InChIKey of N-[[(1R,4R)-4-(2-amino-2-oxoethyl)cyclopent-2-en-1-yl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is VXMLTSIFRJQIMW-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c11-10(12,13)9(17)15-5-7-2-1-6(3-7)4-8(14)16/h1-2,6-7H,3-5H2,(H2,14,16)(H,15,17)/t6-,7+/m1/s1.
What are the key properties of N-[[(1R,4R)-4-(2-amino-2-oxoethyl)cyclopent-2-en-1-yl]methyl]-2,2,2-trifluoroacetamide?
N-[[(1R,4R)-4-(2-amino-2-oxoethyl)cyclopent-2-en-1-yl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 250.22 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,4R)-4-(2-amino-2-oxoethyl)cyclopent-2-en-1-yl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 89472517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).