1-[2-(2-chloroethoxy)ethyl]-3-methylpyridin-2-one

C10H14ClNO2 — CID 63665000

IUPAC1-[2-(2-chloroethoxy)ethyl]-3-methylpyridin-2-one
SMILESCc1cccn(CCOCCCl)c1=O
InChIInChI=1S/C10H14ClNO2/c1-9-3-2-5-12(10(9)13)6-8-14-7-4-11/h2-3,5H,4,6-8H2,1H3
InChIKeyRAALJMNNLJDEPC-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.41
Rot. Bonds5

About 1-[2-(2-chloroethoxy)ethyl]-3-methylpyridin-2-one

1-[2-(2-chloroethoxy)ethyl]-3-methylpyridin-2-one (PubChem CID 63665000) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 1-[2-(2-chloroethoxy)ethyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(2-chloroethoxy)ethyl]-3-methylpyridin-2-one
PubChem CID63665000
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name1-[2-(2-chloroethoxy)ethyl]-3-methylpyridin-2-one
SMILESCc1cccn(CCOCCCl)c1=O
InChIInChI=1S/C10H14ClNO2/c1-9-3-2-5-12(10(9)13)6-8-14-7-4-11/h2-3,5H,4,6-8H2,1H3
InChIKeyRAALJMNNLJDEPC-UHFFFAOYSA-N
XLogP1.41
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroethoxy)ethyl]-3-methylpyridin-2-one?
The IUPAC name of 1-[2-(2-chloroethoxy)ethyl]-3-methylpyridin-2-one (CID 63665000) is 1-[2-(2-chloroethoxy)ethyl]-3-methylpyridin-2-one.
What is the SMILES notation for 1-[2-(2-chloroethoxy)ethyl]-3-methylpyridin-2-one?
The canonical SMILES for 1-[2-(2-chloroethoxy)ethyl]-3-methylpyridin-2-one is Cc1cccn(CCOCCCl)c1=O.
What is the InChIKey of 1-[2-(2-chloroethoxy)ethyl]-3-methylpyridin-2-one?
The InChIKey is RAALJMNNLJDEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-9-3-2-5-12(10(9)13)6-8-14-7-4-11/h2-3,5H,4,6-8H2,1H3.
What are the key properties of 1-[2-(2-chloroethoxy)ethyl]-3-methylpyridin-2-one?
1-[2-(2-chloroethoxy)ethyl]-3-methylpyridin-2-one has a molecular weight of 215.68 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroethoxy)ethyl]-3-methylpyridin-2-one is sourced from PubChem (CID 63665000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).