2,3-dichloro-4-cyclopent-2-en-1-yl-4-hydroxycyclobut-2-en-1-one

C9H8Cl2O2 — CID 10013673

IUPAC2,3-dichloro-4-cyclopent-2-en-1-yl-4-hydroxycyclobut-2-en-1-one
SMILESO=C1C(Cl)=C(Cl)C1(O)C1C=CCC1
InChIInChI=1S/C9H8Cl2O2/c10-6-7(11)9(13,8(6)12)5-3-1-2-4-5/h1,3,5,13H,2,4H2
InChIKeyVLXRGDNZMJVVPG-UHFFFAOYSA-N
MW219.07 g/mol
LogP1.96
Rot. Bonds1

About 2,3-dichloro-4-cyclopent-2-en-1-yl-4-hydroxycyclobut-2-en-1-one

2,3-dichloro-4-cyclopent-2-en-1-yl-4-hydroxycyclobut-2-en-1-one (PubChem CID 10013673) has the molecular formula C9H8Cl2O2 and a molecular weight of 219.07 g/mol. Its IUPAC name is 2,3-dichloro-4-cyclopent-2-en-1-yl-4-hydroxycyclobut-2-en-1-one.

Molecular Properties

Compound Name2,3-dichloro-4-cyclopent-2-en-1-yl-4-hydroxycyclobut-2-en-1-one
PubChem CID10013673
Molecular FormulaC9H8Cl2O2
Molecular Weight219.07 g/mol
Exact Mass217.99
IUPAC Name2,3-dichloro-4-cyclopent-2-en-1-yl-4-hydroxycyclobut-2-en-1-one
SMILESO=C1C(Cl)=C(Cl)C1(O)C1C=CCC1
InChIInChI=1S/C9H8Cl2O2/c10-6-7(11)9(13,8(6)12)5-3-1-2-4-5/h1,3,5,13H,2,4H2
InChIKeyVLXRGDNZMJVVPG-UHFFFAOYSA-N
XLogP1.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Cyclopenten-1-one, 2,3-dichloro-4-hydroxy-4-(2-propenyl)-
CID 5324036
2,3-Dichloro-4-hydroxy-4-(2-methylprop-2-enyl)cyclobut-2-en-1-one
CID 10104455
(4S)-2,3-dichloro-4-hydroxy-4-prop-2-enylcyclopent-2-en-1-one
CID 15939109
4-But-3-en-2-yl-2,3-dichloro-4-hydroxycyclobut-2-en-1-one
CID 10081749

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-cyclopent-2-en-1-yl-4-hydroxycyclobut-2-en-1-one?
The IUPAC name of 2,3-dichloro-4-cyclopent-2-en-1-yl-4-hydroxycyclobut-2-en-1-one (CID 10013673) is 2,3-dichloro-4-cyclopent-2-en-1-yl-4-hydroxycyclobut-2-en-1-one.
What is the SMILES notation for 2,3-dichloro-4-cyclopent-2-en-1-yl-4-hydroxycyclobut-2-en-1-one?
The canonical SMILES for 2,3-dichloro-4-cyclopent-2-en-1-yl-4-hydroxycyclobut-2-en-1-one is O=C1C(Cl)=C(Cl)C1(O)C1C=CCC1.
What is the InChIKey of 2,3-dichloro-4-cyclopent-2-en-1-yl-4-hydroxycyclobut-2-en-1-one?
The InChIKey is VLXRGDNZMJVVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O2/c10-6-7(11)9(13,8(6)12)5-3-1-2-4-5/h1,3,5,13H,2,4H2.
What are the key properties of 2,3-dichloro-4-cyclopent-2-en-1-yl-4-hydroxycyclobut-2-en-1-one?
2,3-dichloro-4-cyclopent-2-en-1-yl-4-hydroxycyclobut-2-en-1-one has a molecular weight of 219.07 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-cyclopent-2-en-1-yl-4-hydroxycyclobut-2-en-1-one is sourced from PubChem (CID 10013673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).