1,4-dichlorocyclopenta-1,2-diene

C5H4Cl2 — CID 57065502

IUPAC1,4-dichlorocyclopenta-1,2-diene
SMILESClC1=C=CC(Cl)C1
InChIInChI=1S/C5H4Cl2/c6-4-1-2-5(7)3-4/h1,4H,3H2
InChIKeyJUBANLIZGDRDQC-UHFFFAOYSA-N
MW134.99 g/mol
LogP2.28
Rot. Bonds

About 1,4-dichlorocyclopenta-1,2-diene

1,4-dichlorocyclopenta-1,2-diene (PubChem CID 57065502) has the molecular formula C5H4Cl2 and a molecular weight of 134.99 g/mol. Its IUPAC name is 1,4-dichlorocyclopenta-1,2-diene.

Molecular Properties

Compound Name1,4-dichlorocyclopenta-1,2-diene
PubChem CID57065502
Molecular FormulaC5H4Cl2
Molecular Weight134.99 g/mol
Exact Mass133.97
IUPAC Name1,4-dichlorocyclopenta-1,2-diene
SMILESClC1=C=CC(Cl)C1
InChIInChI=1S/C5H4Cl2/c6-4-1-2-5(7)3-4/h1,4H,3H2
InChIKeyJUBANLIZGDRDQC-UHFFFAOYSA-N
XLogP2.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.99
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,4-dichlorocyclopenta-1,2-diene?
The IUPAC name of 1,4-dichlorocyclopenta-1,2-diene (CID 57065502) is 1,4-dichlorocyclopenta-1,2-diene.
What is the SMILES notation for 1,4-dichlorocyclopenta-1,2-diene?
The canonical SMILES for 1,4-dichlorocyclopenta-1,2-diene is ClC1=C=CC(Cl)C1.
What is the InChIKey of 1,4-dichlorocyclopenta-1,2-diene?
The InChIKey is JUBANLIZGDRDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2/c6-4-1-2-5(7)3-4/h1,4H,3H2.
What are the key properties of 1,4-dichlorocyclopenta-1,2-diene?
1,4-dichlorocyclopenta-1,2-diene has a molecular weight of 134.99 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichlorocyclopenta-1,2-diene is sourced from PubChem (CID 57065502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).