6-cyclopentyloxy-[1]benzofuro[3,2-c]pyridine-9-carbaldehyde

C17H15NO3 — CID 91463003

IUPAC6-cyclopentyloxy-[1]benzofuro[3,2-c]pyridine-9-carbaldehyde
SMILESO=Cc1ccc(OC2CCCC2)c2oc3ccncc3c12
InChIInChI=1S/C17H15NO3/c19-10-11-5-6-15(20-12-3-1-2-4-12)17-16(11)13-9-18-8-7-14(13)21-17/h5-10,12H,1-4H2
InChIKeyGCRRAAAPGMYCKL-UHFFFAOYSA-N
MW281.31 g/mol
LogP4.11
Rot. Bonds3

About 6-cyclopentyloxy-[1]benzofuro[3,2-c]pyridine-9-carbaldehyde

6-cyclopentyloxy-[1]benzofuro[3,2-c]pyridine-9-carbaldehyde (PubChem CID 91463003) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-cyclopentyloxy-[1]benzofuro[3,2-c]pyridine-9-carbaldehyde.

Molecular Properties

Compound Name6-cyclopentyloxy-[1]benzofuro[3,2-c]pyridine-9-carbaldehyde
PubChem CID91463003
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name6-cyclopentyloxy-[1]benzofuro[3,2-c]pyridine-9-carbaldehyde
SMILESO=Cc1ccc(OC2CCCC2)c2oc3ccncc3c12
InChIInChI=1S/C17H15NO3/c19-10-11-5-6-15(20-12-3-1-2-4-12)17-16(11)13-9-18-8-7-14(13)21-17/h5-10,12H,1-4H2
InChIKeyGCRRAAAPGMYCKL-UHFFFAOYSA-N
XLogP4.11
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyloxy-[1]benzofuro[3,2-c]pyridine-9-carbaldehyde?
The IUPAC name of 6-cyclopentyloxy-[1]benzofuro[3,2-c]pyridine-9-carbaldehyde (CID 91463003) is 6-cyclopentyloxy-[1]benzofuro[3,2-c]pyridine-9-carbaldehyde.
What is the SMILES notation for 6-cyclopentyloxy-[1]benzofuro[3,2-c]pyridine-9-carbaldehyde?
The canonical SMILES for 6-cyclopentyloxy-[1]benzofuro[3,2-c]pyridine-9-carbaldehyde is O=Cc1ccc(OC2CCCC2)c2oc3ccncc3c12.
What is the InChIKey of 6-cyclopentyloxy-[1]benzofuro[3,2-c]pyridine-9-carbaldehyde?
The InChIKey is GCRRAAAPGMYCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-10-11-5-6-15(20-12-3-1-2-4-12)17-16(11)13-9-18-8-7-14(13)21-17/h5-10,12H,1-4H2.
What are the key properties of 6-cyclopentyloxy-[1]benzofuro[3,2-c]pyridine-9-carbaldehyde?
6-cyclopentyloxy-[1]benzofuro[3,2-c]pyridine-9-carbaldehyde has a molecular weight of 281.31 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyloxy-[1]benzofuro[3,2-c]pyridine-9-carbaldehyde is sourced from PubChem (CID 91463003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).