5-(cyclopentanecarbonyl)furan-2-carbaldehyde

C11H12O3 — CID 84719862

IUPAC5-(cyclopentanecarbonyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(C(=O)C2CCCC2)o1
InChIInChI=1S/C11H12O3/c12-7-9-5-6-10(14-9)11(13)8-3-1-2-4-8/h5-8H,1-4H2
InChIKeyZMAINLAAQQTZEO-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.46
Rot. Bonds3

About 5-(cyclopentanecarbonyl)furan-2-carbaldehyde

5-(cyclopentanecarbonyl)furan-2-carbaldehyde (PubChem CID 84719862) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 5-(cyclopentanecarbonyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(cyclopentanecarbonyl)furan-2-carbaldehyde
PubChem CID84719862
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name5-(cyclopentanecarbonyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(C(=O)C2CCCC2)o1
InChIInChI=1S/C11H12O3/c12-7-9-5-6-10(14-9)11(13)8-3-1-2-4-8/h5-8H,1-4H2
InChIKeyZMAINLAAQQTZEO-UHFFFAOYSA-N
XLogP2.46
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentanecarbonyl)furan-2-carbaldehyde?
The IUPAC name of 5-(cyclopentanecarbonyl)furan-2-carbaldehyde (CID 84719862) is 5-(cyclopentanecarbonyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(cyclopentanecarbonyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(cyclopentanecarbonyl)furan-2-carbaldehyde is O=Cc1ccc(C(=O)C2CCCC2)o1.
What is the InChIKey of 5-(cyclopentanecarbonyl)furan-2-carbaldehyde?
The InChIKey is ZMAINLAAQQTZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-7-9-5-6-10(14-9)11(13)8-3-1-2-4-8/h5-8H,1-4H2.
What are the key properties of 5-(cyclopentanecarbonyl)furan-2-carbaldehyde?
5-(cyclopentanecarbonyl)furan-2-carbaldehyde has a molecular weight of 192.21 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentanecarbonyl)furan-2-carbaldehyde is sourced from PubChem (CID 84719862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).