2-oxocyclopentane-1-carbaldehyde

C6H8O2 — CID 10975441

IUPAC2-oxocyclopentane-1-carbaldehyde
SMILESO=CC1CCCC1=O
InChIInChI=1S/C6H8O2/c7-4-5-2-1-3-6(5)8/h4-5H,1-3H2
InChIKeyZAIBWUAGAZIQMM-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.55
Rot. Bonds1

About 2-oxocyclopentane-1-carbaldehyde

2-oxocyclopentane-1-carbaldehyde (PubChem CID 10975441) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-oxocyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name2-oxocyclopentane-1-carbaldehyde
PubChem CID10975441
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name2-oxocyclopentane-1-carbaldehyde
SMILESO=CC1CCCC1=O
InChIInChI=1S/C6H8O2/c7-4-5-2-1-3-6(5)8/h4-5H,1-3H2
InChIKeyZAIBWUAGAZIQMM-UHFFFAOYSA-N
XLogP0.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.55
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxocyclopentane-1-carbaldehyde?
The IUPAC name of 2-oxocyclopentane-1-carbaldehyde (CID 10975441) is 2-oxocyclopentane-1-carbaldehyde.
What is the SMILES notation for 2-oxocyclopentane-1-carbaldehyde?
The canonical SMILES for 2-oxocyclopentane-1-carbaldehyde is O=CC1CCCC1=O.
What is the InChIKey of 2-oxocyclopentane-1-carbaldehyde?
The InChIKey is ZAIBWUAGAZIQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c7-4-5-2-1-3-6(5)8/h4-5H,1-3H2.
What are the key properties of 2-oxocyclopentane-1-carbaldehyde?
2-oxocyclopentane-1-carbaldehyde has a molecular weight of 112.13 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxocyclopentane-1-carbaldehyde is sourced from PubChem (CID 10975441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).