2,6-dicyclopropyl-2,5-dihydropyridine

C11H15N — CID 54509452

IUPAC2,6-dicyclopropyl-2,5-dihydropyridine
SMILESC1=CC(C2CC2)N=C(C2CC2)C1
InChIInChI=1S/C11H15N/c1-2-10(8-4-5-8)12-11(3-1)9-6-7-9/h1-2,8-10H,3-7H2
InChIKeyRCSLHADVWMZOAK-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.58
Rot. Bonds2

About 2,6-dicyclopropyl-2,5-dihydropyridine

2,6-dicyclopropyl-2,5-dihydropyridine (PubChem CID 54509452) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 2,6-dicyclopropyl-2,5-dihydropyridine.

Molecular Properties

Compound Name2,6-dicyclopropyl-2,5-dihydropyridine
PubChem CID54509452
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name2,6-dicyclopropyl-2,5-dihydropyridine
SMILESC1=CC(C2CC2)N=C(C2CC2)C1
InChIInChI=1S/C11H15N/c1-2-10(8-4-5-8)12-11(3-1)9-6-7-9/h1-2,8-10H,3-7H2
InChIKeyRCSLHADVWMZOAK-UHFFFAOYSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-Tricyclopropyl-2,5-dihydropyridine
CID 53872147
2-Cyclopropyl-2,5-dihydropyridine
CID 54163106

Frequently Asked Questions

What is the IUPAC name of 2,6-dicyclopropyl-2,5-dihydropyridine?
The IUPAC name of 2,6-dicyclopropyl-2,5-dihydropyridine (CID 54509452) is 2,6-dicyclopropyl-2,5-dihydropyridine.
What is the SMILES notation for 2,6-dicyclopropyl-2,5-dihydropyridine?
The canonical SMILES for 2,6-dicyclopropyl-2,5-dihydropyridine is C1=CC(C2CC2)N=C(C2CC2)C1.
What is the InChIKey of 2,6-dicyclopropyl-2,5-dihydropyridine?
The InChIKey is RCSLHADVWMZOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-2-10(8-4-5-8)12-11(3-1)9-6-7-9/h1-2,8-10H,3-7H2.
What are the key properties of 2,6-dicyclopropyl-2,5-dihydropyridine?
2,6-dicyclopropyl-2,5-dihydropyridine has a molecular weight of 161.25 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dicyclopropyl-2,5-dihydropyridine is sourced from PubChem (CID 54509452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).