cyclopent-3-ene-1,1-dicarbaldehyde

C7H8O2 — CID 57357760

IUPACcyclopent-3-ene-1,1-dicarbaldehyde
SMILESO=CC1(C=O)CC=CC1
InChIInChI=1S/C7H8O2/c8-5-7(6-9)3-1-2-4-7/h1-2,5-6H,3-4H2
InChIKeyAFDFAQPAKALBSH-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.72
Rot. Bonds2

About cyclopent-3-ene-1,1-dicarbaldehyde

cyclopent-3-ene-1,1-dicarbaldehyde (PubChem CID 57357760) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is cyclopent-3-ene-1,1-dicarbaldehyde.

Molecular Properties

Compound Namecyclopent-3-ene-1,1-dicarbaldehyde
PubChem CID57357760
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Namecyclopent-3-ene-1,1-dicarbaldehyde
SMILESO=CC1(C=O)CC=CC1
InChIInChI=1S/C7H8O2/c8-5-7(6-9)3-1-2-4-7/h1-2,5-6H,3-4H2
InChIKeyAFDFAQPAKALBSH-UHFFFAOYSA-N
XLogP0.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopent-3-ene-1,1-dicarbaldehyde?
The IUPAC name of cyclopent-3-ene-1,1-dicarbaldehyde (CID 57357760) is cyclopent-3-ene-1,1-dicarbaldehyde.
What is the SMILES notation for cyclopent-3-ene-1,1-dicarbaldehyde?
The canonical SMILES for cyclopent-3-ene-1,1-dicarbaldehyde is O=CC1(C=O)CC=CC1.
What is the InChIKey of cyclopent-3-ene-1,1-dicarbaldehyde?
The InChIKey is AFDFAQPAKALBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c8-5-7(6-9)3-1-2-4-7/h1-2,5-6H,3-4H2.
What are the key properties of cyclopent-3-ene-1,1-dicarbaldehyde?
cyclopent-3-ene-1,1-dicarbaldehyde has a molecular weight of 124.14 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-ene-1,1-dicarbaldehyde is sourced from PubChem (CID 57357760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).