3-cyclopentylpyridine-4-carbaldehyde

C11H13NO — CID 82411124

IUPAC3-cyclopentylpyridine-4-carbaldehyde
SMILESO=Cc1ccncc1C1CCCC1
InChIInChI=1S/C11H13NO/c13-8-10-5-6-12-7-11(10)9-3-1-2-4-9/h5-9H,1-4H2
InChIKeyRAJCGRAUAXLKOI-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.55
Rot. Bonds2

About 3-cyclopentylpyridine-4-carbaldehyde

3-cyclopentylpyridine-4-carbaldehyde (PubChem CID 82411124) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-cyclopentylpyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-cyclopentylpyridine-4-carbaldehyde
PubChem CID82411124
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-cyclopentylpyridine-4-carbaldehyde
SMILESO=Cc1ccncc1C1CCCC1
InChIInChI=1S/C11H13NO/c13-8-10-5-6-12-7-11(10)9-3-1-2-4-9/h5-9H,1-4H2
InChIKeyRAJCGRAUAXLKOI-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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Related Compounds

2-cyclodecylbenzaldehyde
CID 142358507
3-cycloheptyl-4-methylpyridine
CID 146408954
3-(3-cyclopentyl-4-pyridinyl)propanamide
CID 138571764
2,3,4-tricyclopentylbenzaldehyde
CID 87124420
4-pyrrolidin-1-ylpyridine-3-carbaldehyde
CID 10607369
(4-cyclobutyl-3-pyridinyl)methanamine
CID 83914283
4-cyclohexyl-1,2-oxazole-5-carbaldehyde
CID 105422726
4,13-diazatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene
CID 59518913
3-cyclohexyl-2-methylbenzaldehyde
CID 15107628
3-fluoropyridine-4-carbaldehyde;hydrofluoride
CID 74891092
3-pyridin-4-ylpyridine-4-carbaldehyde
CID 46316056
3-trimethylstannylpyridine-4-carbaldehyde
CID 10378405

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylpyridine-4-carbaldehyde?
The IUPAC name of 3-cyclopentylpyridine-4-carbaldehyde (CID 82411124) is 3-cyclopentylpyridine-4-carbaldehyde.
What is the SMILES notation for 3-cyclopentylpyridine-4-carbaldehyde?
The canonical SMILES for 3-cyclopentylpyridine-4-carbaldehyde is O=Cc1ccncc1C1CCCC1.
What is the InChIKey of 3-cyclopentylpyridine-4-carbaldehyde?
The InChIKey is RAJCGRAUAXLKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c13-8-10-5-6-12-7-11(10)9-3-1-2-4-9/h5-9H,1-4H2.
What are the key properties of 3-cyclopentylpyridine-4-carbaldehyde?
3-cyclopentylpyridine-4-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 3-cyclopentylpyridine-4-carbaldehyde is sourced from PubChem (CID 82411124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).