3,3-dichloro-4-ethoxy-1-(5-methyl-2-pyridinyl)azetidin-2-one

C11H12Cl2N2O2 — CID 13114240

IUPAC3,3-dichloro-4-ethoxy-1-(5-methyl-2-pyridinyl)azetidin-2-one
SMILESCCOC1N(c2ccc(C)cn2)C(=O)C1(Cl)Cl
InChIInChI=1S/C11H12Cl2N2O2/c1-3-17-10-11(12,13)9(16)15(10)8-5-4-7(2)6-14-8/h4-6,10H,3H2,1-2H3
InChIKeyVRXACLYUIHZBEX-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.27
Rot. Bonds3

About 3,3-dichloro-4-ethoxy-1-(5-methyl-2-pyridinyl)azetidin-2-one

3,3-dichloro-4-ethoxy-1-(5-methyl-2-pyridinyl)azetidin-2-one (PubChem CID 13114240) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is 3,3-dichloro-4-ethoxy-1-(5-methyl-2-pyridinyl)azetidin-2-one.

Molecular Properties

Compound Name3,3-dichloro-4-ethoxy-1-(5-methyl-2-pyridinyl)azetidin-2-one
PubChem CID13114240
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Name3,3-dichloro-4-ethoxy-1-(5-methyl-2-pyridinyl)azetidin-2-one
SMILESCCOC1N(c2ccc(C)cn2)C(=O)C1(Cl)Cl
InChIInChI=1S/C11H12Cl2N2O2/c1-3-17-10-11(12,13)9(16)15(10)8-5-4-7(2)6-14-8/h4-6,10H,3H2,1-2H3
InChIKeyVRXACLYUIHZBEX-UHFFFAOYSA-N
XLogP2.27
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dichloro-4-ethoxy-1-(5-methyl-2-pyridinyl)azetidin-2-one?
The IUPAC name of 3,3-dichloro-4-ethoxy-1-(5-methyl-2-pyridinyl)azetidin-2-one (CID 13114240) is 3,3-dichloro-4-ethoxy-1-(5-methyl-2-pyridinyl)azetidin-2-one.
What is the SMILES notation for 3,3-dichloro-4-ethoxy-1-(5-methyl-2-pyridinyl)azetidin-2-one?
The canonical SMILES for 3,3-dichloro-4-ethoxy-1-(5-methyl-2-pyridinyl)azetidin-2-one is CCOC1N(c2ccc(C)cn2)C(=O)C1(Cl)Cl.
What is the InChIKey of 3,3-dichloro-4-ethoxy-1-(5-methyl-2-pyridinyl)azetidin-2-one?
The InChIKey is VRXACLYUIHZBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c1-3-17-10-11(12,13)9(16)15(10)8-5-4-7(2)6-14-8/h4-6,10H,3H2,1-2H3.
What are the key properties of 3,3-dichloro-4-ethoxy-1-(5-methyl-2-pyridinyl)azetidin-2-one?
3,3-dichloro-4-ethoxy-1-(5-methyl-2-pyridinyl)azetidin-2-one has a molecular weight of 275.13 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloro-4-ethoxy-1-(5-methyl-2-pyridinyl)azetidin-2-one is sourced from PubChem (CID 13114240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).