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

C13H16ClNO2 — CID 82524860

IUPAC2-(1-cyclopentyl-6-methyl-2-oxo-3-pyridinyl)acetyl chloride
SMILESCc1ccc(CC(=O)Cl)c(=O)n1C1CCCC1
InChIInChI=1S/C13H16ClNO2/c1-9-6-7-10(8-12(14)16)13(17)15(9)11-4-2-3-5-11/h6-7,11H,2-5,8H2,1H3
InChIKeyICRVDASCNFQHET-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.58
Rot. Bonds3

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

2-(1-cyclopentyl-6-methyl-2-oxo-3-pyridinyl)acetyl chloride (PubChem CID 82524860) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(1-cyclopentyl-6-methyl-2-oxo-3-pyridinyl)acetyl chloride.

Molecular Properties

Compound Name2-(1-cyclopentyl-6-methyl-2-oxo-3-pyridinyl)acetyl chloride
PubChem CID82524860
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-(1-cyclopentyl-6-methyl-2-oxo-3-pyridinyl)acetyl chloride
SMILESCc1ccc(CC(=O)Cl)c(=O)n1C1CCCC1
InChIInChI=1S/C13H16ClNO2/c1-9-6-7-10(8-12(14)16)13(17)15(9)11-4-2-3-5-11/h6-7,11H,2-5,8H2,1H3
InChIKeyICRVDASCNFQHET-UHFFFAOYSA-N
XLogP2.58
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-tert-butyl-1-cyclopentyl-2-oxo-3-pyridinyl)acetyl chloride
CID 82523529
3-(aminomethyl)-1-cyclobutyl-6-methylpyridin-2-one
CID 105446451
2-(1-cyclopropyl-2-oxo-6-propan-2-yl-3-pyridinyl)acetyl chloride
CID 82524358
3-(aminomethyl)-1-cyclopropyl-6-methylpyridin-2-one
CID 82188971
3-[(butan-2-ylamino)methyl]-1-cyclopentyl-6-methylpyridin-2-one
CID 82524895
1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
CID 82525225
3-acetyl-1-cyclopropyl-6-methylpyridin-2-one
CID 82525165
1-cyclopentyl-3-(hydroxymethyl)-4,6-dimethylpyridin-2-one
CID 82525770
3-(chloromethyl)-1-cyclohexyl-4,6-dimethylpyridin-2-one
CID 82525716
3-(1-cyclopentyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride
CID 82522847
1-cyclohexyl-6-methyl-2-oxopyridine-3-carboximidamide
CID 82524843
2-(1-cyclopentyl-5-methylimidazol-2-yl)acetic acid
CID 83883906

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyl-6-methyl-2-oxo-3-pyridinyl)acetyl chloride?
The IUPAC name of 2-(1-cyclopentyl-6-methyl-2-oxo-3-pyridinyl)acetyl chloride (CID 82524860) is 2-(1-cyclopentyl-6-methyl-2-oxo-3-pyridinyl)acetyl chloride.
What is the SMILES notation for 2-(1-cyclopentyl-6-methyl-2-oxo-3-pyridinyl)acetyl chloride?
The canonical SMILES for 2-(1-cyclopentyl-6-methyl-2-oxo-3-pyridinyl)acetyl chloride is Cc1ccc(CC(=O)Cl)c(=O)n1C1CCCC1.
What is the InChIKey of 2-(1-cyclopentyl-6-methyl-2-oxo-3-pyridinyl)acetyl chloride?
The InChIKey is ICRVDASCNFQHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-9-6-7-10(8-12(14)16)13(17)15(9)11-4-2-3-5-11/h6-7,11H,2-5,8H2,1H3.
What are the key properties of 2-(1-cyclopentyl-6-methyl-2-oxo-3-pyridinyl)acetyl chloride?
2-(1-cyclopentyl-6-methyl-2-oxo-3-pyridinyl)acetyl chloride has a molecular weight of 253.73 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyl-6-methyl-2-oxo-3-pyridinyl)acetyl chloride is sourced from PubChem (CID 82524860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).