2,5-dichlorocyclopenta-2,4-dien-1-one

C5H2Cl2O — CID 12592155

IUPAC2,5-dichlorocyclopenta-2,4-dien-1-one
SMILESO=C1C(Cl)=CC=C1Cl
InChIInChI=1S/C5H2Cl2O/c6-3-1-2-4(7)5(3)8/h1-2H
InChIKeyUXWREJYFRMNUHH-UHFFFAOYSA-N
MW148.98 g/mol
LogP1.81
Rot. Bonds

About 2,5-dichlorocyclopenta-2,4-dien-1-one

2,5-dichlorocyclopenta-2,4-dien-1-one (PubChem CID 12592155) has the molecular formula C5H2Cl2O and a molecular weight of 148.98 g/mol. Its IUPAC name is 2,5-dichlorocyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name2,5-dichlorocyclopenta-2,4-dien-1-one
PubChem CID12592155
Molecular FormulaC5H2Cl2O
Molecular Weight148.98 g/mol
Exact Mass147.95
IUPAC Name2,5-dichlorocyclopenta-2,4-dien-1-one
SMILESO=C1C(Cl)=CC=C1Cl
InChIInChI=1S/C5H2Cl2O/c6-3-1-2-4(7)5(3)8/h1-2H
InChIKeyUXWREJYFRMNUHH-UHFFFAOYSA-N
XLogP1.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.98
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichlorocyclopenta-2,4-dien-1-one?
The IUPAC name of 2,5-dichlorocyclopenta-2,4-dien-1-one (CID 12592155) is 2,5-dichlorocyclopenta-2,4-dien-1-one.
What is the SMILES notation for 2,5-dichlorocyclopenta-2,4-dien-1-one?
The canonical SMILES for 2,5-dichlorocyclopenta-2,4-dien-1-one is O=C1C(Cl)=CC=C1Cl.
What is the InChIKey of 2,5-dichlorocyclopenta-2,4-dien-1-one?
The InChIKey is UXWREJYFRMNUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2O/c6-3-1-2-4(7)5(3)8/h1-2H.
What are the key properties of 2,5-dichlorocyclopenta-2,4-dien-1-one?
2,5-dichlorocyclopenta-2,4-dien-1-one has a molecular weight of 148.98 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichlorocyclopenta-2,4-dien-1-one is sourced from PubChem (CID 12592155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).