2-(6-tert-butyl-1-cyclopentyl-2-oxo-3-pyridinyl)acetyl chloride

C16H22ClNO2 — CID 82523529

IUPAC2-(6-tert-butyl-1-cyclopentyl-2-oxo-3-pyridinyl)acetyl chloride
SMILESCC(C)(C)c1ccc(CC(=O)Cl)c(=O)n1C1CCCC1
InChIInChI=1S/C16H22ClNO2/c1-16(2,3)13-9-8-11(10-14(17)19)15(20)18(13)12-6-4-5-7-12/h8-9,12H,4-7,10H2,1-3H3
InChIKeyFTAHQMYEMMJCCJ-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.57
Rot. Bonds3

About 2-(6-tert-butyl-1-cyclopentyl-2-oxo-3-pyridinyl)acetyl chloride

2-(6-tert-butyl-1-cyclopentyl-2-oxo-3-pyridinyl)acetyl chloride (PubChem CID 82523529) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(6-tert-butyl-1-cyclopentyl-2-oxo-3-pyridinyl)acetyl chloride.

Molecular Properties

Compound Name2-(6-tert-butyl-1-cyclopentyl-2-oxo-3-pyridinyl)acetyl chloride
PubChem CID82523529
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-(6-tert-butyl-1-cyclopentyl-2-oxo-3-pyridinyl)acetyl chloride
SMILESCC(C)(C)c1ccc(CC(=O)Cl)c(=O)n1C1CCCC1
InChIInChI=1S/C16H22ClNO2/c1-16(2,3)13-9-8-11(10-14(17)19)15(20)18(13)12-6-4-5-7-12/h8-9,12H,4-7,10H2,1-3H3
InChIKeyFTAHQMYEMMJCCJ-UHFFFAOYSA-N
XLogP3.57
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-1-cyclopentyl-2-oxo-3-pyridinyl)acetyl chloride?
The IUPAC name of 2-(6-tert-butyl-1-cyclopentyl-2-oxo-3-pyridinyl)acetyl chloride (CID 82523529) is 2-(6-tert-butyl-1-cyclopentyl-2-oxo-3-pyridinyl)acetyl chloride.
What is the SMILES notation for 2-(6-tert-butyl-1-cyclopentyl-2-oxo-3-pyridinyl)acetyl chloride?
The canonical SMILES for 2-(6-tert-butyl-1-cyclopentyl-2-oxo-3-pyridinyl)acetyl chloride is CC(C)(C)c1ccc(CC(=O)Cl)c(=O)n1C1CCCC1.
What is the InChIKey of 2-(6-tert-butyl-1-cyclopentyl-2-oxo-3-pyridinyl)acetyl chloride?
The InChIKey is FTAHQMYEMMJCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-16(2,3)13-9-8-11(10-14(17)19)15(20)18(13)12-6-4-5-7-12/h8-9,12H,4-7,10H2,1-3H3.
What are the key properties of 2-(6-tert-butyl-1-cyclopentyl-2-oxo-3-pyridinyl)acetyl chloride?
2-(6-tert-butyl-1-cyclopentyl-2-oxo-3-pyridinyl)acetyl chloride has a molecular weight of 295.81 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butyl-1-cyclopentyl-2-oxo-3-pyridinyl)acetyl chloride is sourced from PubChem (CID 82523529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).