6-(2,2-dichloroethenyl)-4-ethyl-3-methylpyran-2-one

C10H10Cl2O2 — CID 717447

IUPAC6-(2,2-dichloroethenyl)-4-ethyl-3-methylpyran-2-one
SMILESCCc1cc(C=C(Cl)Cl)oc(=O)c1C
InChIInChI=1S/C10H10Cl2O2/c1-3-7-4-8(5-9(11)12)14-10(13)6(7)2/h4-5H,3H2,1-2H3
InChIKeyBNVIBFNEZSQZCF-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.29
Rot. Bonds2

About 6-(2,2-dichloroethenyl)-4-ethyl-3-methylpyran-2-one

6-(2,2-dichloroethenyl)-4-ethyl-3-methylpyran-2-one (PubChem CID 717447) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 6-(2,2-dichloroethenyl)-4-ethyl-3-methylpyran-2-one.

Molecular Properties

Compound Name6-(2,2-dichloroethenyl)-4-ethyl-3-methylpyran-2-one
PubChem CID717447
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name6-(2,2-dichloroethenyl)-4-ethyl-3-methylpyran-2-one
SMILESCCc1cc(C=C(Cl)Cl)oc(=O)c1C
InChIInChI=1S/C10H10Cl2O2/c1-3-7-4-8(5-9(11)12)14-10(13)6(7)2/h4-5H,3H2,1-2H3
InChIKeyBNVIBFNEZSQZCF-UHFFFAOYSA-N
XLogP3.29
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(2,2-dichloroethenyl)-4-ethyl-3-methylpyran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dichloroethenyl)-4-ethyl-3-methylpyran-2-one?
The IUPAC name of 6-(2,2-dichloroethenyl)-4-ethyl-3-methylpyran-2-one (CID 717447) is 6-(2,2-dichloroethenyl)-4-ethyl-3-methylpyran-2-one.
What is the SMILES notation for 6-(2,2-dichloroethenyl)-4-ethyl-3-methylpyran-2-one?
The canonical SMILES for 6-(2,2-dichloroethenyl)-4-ethyl-3-methylpyran-2-one is CCc1cc(C=C(Cl)Cl)oc(=O)c1C.
What is the InChIKey of 6-(2,2-dichloroethenyl)-4-ethyl-3-methylpyran-2-one?
The InChIKey is BNVIBFNEZSQZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-3-7-4-8(5-9(11)12)14-10(13)6(7)2/h4-5H,3H2,1-2H3.
What are the key properties of 6-(2,2-dichloroethenyl)-4-ethyl-3-methylpyran-2-one?
6-(2,2-dichloroethenyl)-4-ethyl-3-methylpyran-2-one has a molecular weight of 233.09 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dichloroethenyl)-4-ethyl-3-methylpyran-2-one is sourced from PubChem (CID 717447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).