2,3-dichlorocyclopentan-1-one

C5H6Cl2O — CID 21455131

IUPAC2,3-dichlorocyclopentan-1-one
SMILESO=C1CCC(Cl)C1Cl
InChIInChI=1S/C5H6Cl2O/c6-3-1-2-4(8)5(3)7/h3,5H,1-2H2
InChIKeyWEKRNERCBQUNOS-UHFFFAOYSA-N
MW153.01 g/mol
LogP1.56
Rot. Bonds

About 2,3-dichlorocyclopentan-1-one

2,3-dichlorocyclopentan-1-one (PubChem CID 21455131) has the molecular formula C5H6Cl2O and a molecular weight of 153.01 g/mol. Its IUPAC name is 2,3-dichlorocyclopentan-1-one.

Molecular Properties

Compound Name2,3-dichlorocyclopentan-1-one
PubChem CID21455131
Molecular FormulaC5H6Cl2O
Molecular Weight153.01 g/mol
Exact Mass151.98
IUPAC Name2,3-dichlorocyclopentan-1-one
SMILESO=C1CCC(Cl)C1Cl
InChIInChI=1S/C5H6Cl2O/c6-3-1-2-4(8)5(3)7/h3,5H,1-2H2
InChIKeyWEKRNERCBQUNOS-UHFFFAOYSA-N
XLogP1.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.01
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,3-dichlorocyclopentan-1-one?
The IUPAC name of 2,3-dichlorocyclopentan-1-one (CID 21455131) is 2,3-dichlorocyclopentan-1-one.
What is the SMILES notation for 2,3-dichlorocyclopentan-1-one?
The canonical SMILES for 2,3-dichlorocyclopentan-1-one is O=C1CCC(Cl)C1Cl.
What is the InChIKey of 2,3-dichlorocyclopentan-1-one?
The InChIKey is WEKRNERCBQUNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2O/c6-3-1-2-4(8)5(3)7/h3,5H,1-2H2.
What are the key properties of 2,3-dichlorocyclopentan-1-one?
2,3-dichlorocyclopentan-1-one has a molecular weight of 153.01 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichlorocyclopentan-1-one is sourced from PubChem (CID 21455131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).