6-cyclopentylpyridine-3-carbaldehyde

C11H13NO — CID 83816590

IUPAC6-cyclopentylpyridine-3-carbaldehyde
SMILESO=Cc1ccc(C2CCCC2)nc1
InChIInChI=1S/C11H13NO/c13-8-9-5-6-11(12-7-9)10-3-1-2-4-10/h5-8,10H,1-4H2
InChIKeyDFIXWCYXFNOGQS-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.55
Rot. Bonds2

About 6-cyclopentylpyridine-3-carbaldehyde

6-cyclopentylpyridine-3-carbaldehyde (PubChem CID 83816590) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 6-cyclopentylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-cyclopentylpyridine-3-carbaldehyde
PubChem CID83816590
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name6-cyclopentylpyridine-3-carbaldehyde
SMILESO=Cc1ccc(C2CCCC2)nc1
InChIInChI=1S/C11H13NO/c13-8-9-5-6-11(12-7-9)10-3-1-2-4-10/h5-8,10H,1-4H2
InChIKeyDFIXWCYXFNOGQS-UHFFFAOYSA-N
XLogP2.55
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.55
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 6-cyclopentylpyridine-3-carbaldehyde?
The IUPAC name of 6-cyclopentylpyridine-3-carbaldehyde (CID 83816590) is 6-cyclopentylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-cyclopentylpyridine-3-carbaldehyde?
The canonical SMILES for 6-cyclopentylpyridine-3-carbaldehyde is O=Cc1ccc(C2CCCC2)nc1.
What is the InChIKey of 6-cyclopentylpyridine-3-carbaldehyde?
The InChIKey is DFIXWCYXFNOGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c13-8-9-5-6-11(12-7-9)10-3-1-2-4-10/h5-8,10H,1-4H2.
What are the key properties of 6-cyclopentylpyridine-3-carbaldehyde?
6-cyclopentylpyridine-3-carbaldehyde has a molecular weight of 175.23 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentylpyridine-3-carbaldehyde is sourced from PubChem (CID 83816590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).