N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide

C13H15BrN2O2 — CID 71921856

IUPACN-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide
SMILESCn1cc(NC(=O)CC2C=CCC2)cc(Br)c1=O
InChIInChI=1S/C13H15BrN2O2/c1-16-8-10(7-11(14)13(16)18)15-12(17)6-9-4-2-3-5-9/h2,4,7-9H,3,5-6H2,1H3,(H,15,17)
InChIKeyVROIOYIVNRQCSI-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.44
Rot. Bonds3

About N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide

N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide (PubChem CID 71921856) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide
PubChem CID71921856
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC NameN-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide
SMILESCn1cc(NC(=O)CC2C=CCC2)cc(Br)c1=O
InChIInChI=1S/C13H15BrN2O2/c1-16-8-10(7-11(14)13(16)18)15-12(17)6-9-4-2-3-5-9/h2,4,7-9H,3,5-6H2,1H3,(H,15,17)
InChIKeyVROIOYIVNRQCSI-UHFFFAOYSA-N
XLogP2.44
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.44
H-Bond Donors ≤ 51
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 N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide?
The IUPAC name of N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide (CID 71921856) is N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide.
What is the SMILES notation for N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide?
The canonical SMILES for N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide is Cn1cc(NC(=O)CC2C=CCC2)cc(Br)c1=O.
What is the InChIKey of N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide?
The InChIKey is VROIOYIVNRQCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-16-8-10(7-11(14)13(16)18)15-12(17)6-9-4-2-3-5-9/h2,4,7-9H,3,5-6H2,1H3,(H,15,17).
What are the key properties of N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide?
N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide has a molecular weight of 311.18 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide is sourced from PubChem (CID 71921856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).