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

C8H6Cl2O2 — CID 717445

IUPAC6-(2,2-dichloroethenyl)-4-methylpyran-2-one
SMILESCc1cc(C=C(Cl)Cl)oc(=O)c1
InChIInChI=1S/C8H6Cl2O2/c1-5-2-6(4-7(9)10)12-8(11)3-5/h2-4H,1H3
InChIKeyCUFQFWNJOPUEAC-UHFFFAOYSA-N
MW205.04 g/mol
LogP2.72
Rot. Bonds1

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

6-(2,2-dichloroethenyl)-4-methylpyran-2-one (PubChem CID 717445) has the molecular formula C8H6Cl2O2 and a molecular weight of 205.04 g/mol. Its IUPAC name is 6-(2,2-dichloroethenyl)-4-methylpyran-2-one.

Molecular Properties

Compound Name6-(2,2-dichloroethenyl)-4-methylpyran-2-one
PubChem CID717445
Molecular FormulaC8H6Cl2O2
Molecular Weight205.04 g/mol
Exact Mass203.97
IUPAC Name6-(2,2-dichloroethenyl)-4-methylpyran-2-one
SMILESCc1cc(C=C(Cl)Cl)oc(=O)c1
InChIInChI=1S/C8H6Cl2O2/c1-5-2-6(4-7(9)10)12-8(11)3-5/h2-4H,1H3
InChIKeyCUFQFWNJOPUEAC-UHFFFAOYSA-N
XLogP2.72
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.04
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dichloroethenyl)-4-methylpyran-2-one?
The IUPAC name of 6-(2,2-dichloroethenyl)-4-methylpyran-2-one (CID 717445) is 6-(2,2-dichloroethenyl)-4-methylpyran-2-one.
What is the SMILES notation for 6-(2,2-dichloroethenyl)-4-methylpyran-2-one?
The canonical SMILES for 6-(2,2-dichloroethenyl)-4-methylpyran-2-one is Cc1cc(C=C(Cl)Cl)oc(=O)c1.
What is the InChIKey of 6-(2,2-dichloroethenyl)-4-methylpyran-2-one?
The InChIKey is CUFQFWNJOPUEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O2/c1-5-2-6(4-7(9)10)12-8(11)3-5/h2-4H,1H3.
What are the key properties of 6-(2,2-dichloroethenyl)-4-methylpyran-2-one?
6-(2,2-dichloroethenyl)-4-methylpyran-2-one has a molecular weight of 205.04 g/mol, XLogP of 2.72, 1 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-methylpyran-2-one is sourced from PubChem (CID 717445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).