3-(6-cyclopent-3-en-1-yloxan-3-yl)pyridine

C15H19NO — CID 71259029

IUPAC3-(6-cyclopent-3-en-1-yloxan-3-yl)pyridine
SMILESC1=CCC(C2CCC(c3cccnc3)CO2)C1
InChIInChI=1S/C15H19NO/c1-2-5-12(4-1)15-8-7-14(11-17-15)13-6-3-9-16-10-13/h1-3,6,9-10,12,14-15H,4-5,7-8,11H2
InChIKeyIEYRFLXZSWOVGZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.31
Rot. Bonds2

About 3-(6-cyclopent-3-en-1-yloxan-3-yl)pyridine

3-(6-cyclopent-3-en-1-yloxan-3-yl)pyridine (PubChem CID 71259029) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-(6-cyclopent-3-en-1-yloxan-3-yl)pyridine.

Molecular Properties

Compound Name3-(6-cyclopent-3-en-1-yloxan-3-yl)pyridine
PubChem CID71259029
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-(6-cyclopent-3-en-1-yloxan-3-yl)pyridine
SMILESC1=CCC(C2CCC(c3cccnc3)CO2)C1
InChIInChI=1S/C15H19NO/c1-2-5-12(4-1)15-8-7-14(11-17-15)13-6-3-9-16-10-13/h1-3,6,9-10,12,14-15H,4-5,7-8,11H2
InChIKeyIEYRFLXZSWOVGZ-UHFFFAOYSA-N
XLogP3.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(3,5-dipyridin-3-ylcyclohexyl)-5-pyridin-3-ylcyclohexyl]pyridine
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(2S,3S)-2-pyridin-3-yloxolan-3-amine
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3-piperidin-4-ylpyridine;dihydrochloride
CID 21192973
4-pyridin-3-ylcyclohexane-1-carboxylic acid
CID 82282997
3-[(2S)-aziridin-2-yl]pyridine
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9-pyridin-3-yl-4-azabicyclo[5.3.1]undecane
CID 57485548
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
3-pyridin-3-ylcyclopentan-1-one
CID 59265971
4-bromooxane;3-bromopyridine;3-(oxan-4-yl)pyridine
CID 160840050
2-(4-pyridin-3-ylpiperidin-1-yl)ethanol
CID 150777844
amino-(4-pyridin-3-ylpiperidin-1-yl)methanol
CID 145342112

Frequently Asked Questions

What is the IUPAC name of 3-(6-cyclopent-3-en-1-yloxan-3-yl)pyridine?
The IUPAC name of 3-(6-cyclopent-3-en-1-yloxan-3-yl)pyridine (CID 71259029) is 3-(6-cyclopent-3-en-1-yloxan-3-yl)pyridine.
What is the SMILES notation for 3-(6-cyclopent-3-en-1-yloxan-3-yl)pyridine?
The canonical SMILES for 3-(6-cyclopent-3-en-1-yloxan-3-yl)pyridine is C1=CCC(C2CCC(c3cccnc3)CO2)C1.
What is the InChIKey of 3-(6-cyclopent-3-en-1-yloxan-3-yl)pyridine?
The InChIKey is IEYRFLXZSWOVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-5-12(4-1)15-8-7-14(11-17-15)13-6-3-9-16-10-13/h1-3,6,9-10,12,14-15H,4-5,7-8,11H2.
What are the key properties of 3-(6-cyclopent-3-en-1-yloxan-3-yl)pyridine?
3-(6-cyclopent-3-en-1-yloxan-3-yl)pyridine has a molecular weight of 229.32 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-cyclopent-3-en-1-yloxan-3-yl)pyridine is sourced from PubChem (CID 71259029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).