2-[(1R)-cyclopent-2-en-1-yl]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide

C13H13F3N2O2 — CID 94195543

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
SMILESO=C(C[C@@H]1C=CCC1)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C13H13F3N2O2/c14-13(15,16)9-6-10(12(20)17-7-9)18-11(19)5-8-3-1-2-4-8/h1,3,6-8H,2,4-5H2,(H,17,20)(H,18,19)/t8-/m1/s1
InChIKeyYAMATQMIPLXTDN-MRVPVSSYSA-N
MW286.25 g/mol
LogP2.69
Rot. Bonds3

About 2-[(1R)-cyclopent-2-en-1-yl]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide

2-[(1R)-cyclopent-2-en-1-yl]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide (PubChem CID 94195543) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
PubChem CID94195543
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
SMILESO=C(C[C@@H]1C=CCC1)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C13H13F3N2O2/c14-13(15,16)9-6-10(12(20)17-7-9)18-11(19)5-8-3-1-2-4-8/h1,3,6-8H,2,4-5H2,(H,17,20)(H,18,19)/t8-/m1/s1
InChIKeyYAMATQMIPLXTDN-MRVPVSSYSA-N
XLogP2.69
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.69
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-[(1R)-cyclopent-2-en-1-yl]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide (CID 94195543) is 2-[(1R)-cyclopent-2-en-1-yl]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide is O=C(C[C@@H]1C=CCC1)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
The InChIKey is YAMATQMIPLXTDN-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c14-13(15,16)9-6-10(12(20)17-7-9)18-11(19)5-8-3-1-2-4-8/h1,3,6-8H,2,4-5H2,(H,17,20)(H,18,19)/t8-/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide has a molecular weight of 286.25 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclopent-2-en-1-yl]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide is sourced from PubChem (CID 94195543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).