2-cyclopropyl-5-propylfuran-3-carbaldehyde

C11H14O2 — CID 165451232

IUPAC2-cyclopropyl-5-propylfuran-3-carbaldehyde
SMILESCCCc1cc(C=O)c(C2CC2)o1
InChIInChI=1S/C11H14O2/c1-2-3-10-6-9(7-12)11(13-10)8-4-5-8/h6-8H,2-5H2,1H3
InChIKeyQZTCAPXNECOSDV-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.92
Rot. Bonds4

About 2-cyclopropyl-5-propylfuran-3-carbaldehyde

2-cyclopropyl-5-propylfuran-3-carbaldehyde (PubChem CID 165451232) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-cyclopropyl-5-propylfuran-3-carbaldehyde.

Molecular Properties

Compound Name2-cyclopropyl-5-propylfuran-3-carbaldehyde
PubChem CID165451232
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-cyclopropyl-5-propylfuran-3-carbaldehyde
SMILESCCCc1cc(C=O)c(C2CC2)o1
InChIInChI=1S/C11H14O2/c1-2-3-10-6-9(7-12)11(13-10)8-4-5-8/h6-8H,2-5H2,1H3
InChIKeyQZTCAPXNECOSDV-UHFFFAOYSA-N
XLogP2.92
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-propylfuran-3-carbaldehyde?
The IUPAC name of 2-cyclopropyl-5-propylfuran-3-carbaldehyde (CID 165451232) is 2-cyclopropyl-5-propylfuran-3-carbaldehyde.
What is the SMILES notation for 2-cyclopropyl-5-propylfuran-3-carbaldehyde?
The canonical SMILES for 2-cyclopropyl-5-propylfuran-3-carbaldehyde is CCCc1cc(C=O)c(C2CC2)o1.
What is the InChIKey of 2-cyclopropyl-5-propylfuran-3-carbaldehyde?
The InChIKey is QZTCAPXNECOSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-2-3-10-6-9(7-12)11(13-10)8-4-5-8/h6-8H,2-5H2,1H3.
What are the key properties of 2-cyclopropyl-5-propylfuran-3-carbaldehyde?
2-cyclopropyl-5-propylfuran-3-carbaldehyde has a molecular weight of 178.23 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-propylfuran-3-carbaldehyde is sourced from PubChem (CID 165451232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).