4-(cyclopentanecarbonyl)furan-2-carbaldehyde

C11H12O3 — CID 84719861

IUPAC4-(cyclopentanecarbonyl)furan-2-carbaldehyde
SMILESO=Cc1cc(C(=O)C2CCCC2)co1
InChIInChI=1S/C11H12O3/c12-6-10-5-9(7-14-10)11(13)8-3-1-2-4-8/h5-8H,1-4H2
InChIKeyLPWRWOVCFHUQIA-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.46
Rot. Bonds3

About 4-(cyclopentanecarbonyl)furan-2-carbaldehyde

4-(cyclopentanecarbonyl)furan-2-carbaldehyde (PubChem CID 84719861) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 4-(cyclopentanecarbonyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name4-(cyclopentanecarbonyl)furan-2-carbaldehyde
PubChem CID84719861
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name4-(cyclopentanecarbonyl)furan-2-carbaldehyde
SMILESO=Cc1cc(C(=O)C2CCCC2)co1
InChIInChI=1S/C11H12O3/c12-6-10-5-9(7-14-10)11(13)8-3-1-2-4-8/h5-8H,1-4H2
InChIKeyLPWRWOVCFHUQIA-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 4-(cyclopentanecarbonyl)furan-2-carbaldehyde?
The IUPAC name of 4-(cyclopentanecarbonyl)furan-2-carbaldehyde (CID 84719861) is 4-(cyclopentanecarbonyl)furan-2-carbaldehyde.
What is the SMILES notation for 4-(cyclopentanecarbonyl)furan-2-carbaldehyde?
The canonical SMILES for 4-(cyclopentanecarbonyl)furan-2-carbaldehyde is O=Cc1cc(C(=O)C2CCCC2)co1.
What is the InChIKey of 4-(cyclopentanecarbonyl)furan-2-carbaldehyde?
The InChIKey is LPWRWOVCFHUQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-6-10-5-9(7-14-10)11(13)8-3-1-2-4-8/h5-8H,1-4H2.
What are the key properties of 4-(cyclopentanecarbonyl)furan-2-carbaldehyde?
4-(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 4-(cyclopentanecarbonyl)furan-2-carbaldehyde is sourced from PubChem (CID 84719861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).