1-(2,3-dichloroprop-2-enyl)piperidin-4-one

C8H11Cl2NO — CID 79168527

IUPAC1-(2,3-dichloroprop-2-enyl)piperidin-4-one
SMILESO=C1CCN(CC(Cl)=CCl)CC1
InChIInChI=1S/C8H11Cl2NO/c9-5-7(10)6-11-3-1-8(12)2-4-11/h5H,1-4,6H2
InChIKeyCVKPLQULDFTQLS-UHFFFAOYSA-N
MW208.09 g/mol
LogP1.97
Rot. Bonds2

About 1-(2,3-dichloroprop-2-enyl)piperidin-4-one

1-(2,3-dichloroprop-2-enyl)piperidin-4-one (PubChem CID 79168527) has the molecular formula C8H11Cl2NO and a molecular weight of 208.09 g/mol. Its IUPAC name is 1-(2,3-dichloroprop-2-enyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2,3-dichloroprop-2-enyl)piperidin-4-one
PubChem CID79168527
Molecular FormulaC8H11Cl2NO
Molecular Weight208.09 g/mol
Exact Mass207.02
IUPAC Name1-(2,3-dichloroprop-2-enyl)piperidin-4-one
SMILESO=C1CCN(CC(Cl)=CCl)CC1
InChIInChI=1S/C8H11Cl2NO/c9-5-7(10)6-11-3-1-8(12)2-4-11/h5H,1-4,6H2
InChIKeyCVKPLQULDFTQLS-UHFFFAOYSA-N
XLogP1.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichloroprop-2-enyl)piperidin-4-one?
The IUPAC name of 1-(2,3-dichloroprop-2-enyl)piperidin-4-one (CID 79168527) is 1-(2,3-dichloroprop-2-enyl)piperidin-4-one.
What is the SMILES notation for 1-(2,3-dichloroprop-2-enyl)piperidin-4-one?
The canonical SMILES for 1-(2,3-dichloroprop-2-enyl)piperidin-4-one is O=C1CCN(CC(Cl)=CCl)CC1.
What is the InChIKey of 1-(2,3-dichloroprop-2-enyl)piperidin-4-one?
The InChIKey is CVKPLQULDFTQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2NO/c9-5-7(10)6-11-3-1-8(12)2-4-11/h5H,1-4,6H2.
What are the key properties of 1-(2,3-dichloroprop-2-enyl)piperidin-4-one?
1-(2,3-dichloroprop-2-enyl)piperidin-4-one has a molecular weight of 208.09 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichloroprop-2-enyl)piperidin-4-one is sourced from PubChem (CID 79168527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).