4-cyclobutyl-2,5-dihydropyridine

C9H13N — CID 57080899

IUPAC4-cyclobutyl-2,5-dihydropyridine
SMILESC1=NCC=C(C2CCC2)C1
InChIInChI=1S/C9H13N/c1-2-8(3-1)9-4-6-10-7-5-9/h4,7-8H,1-3,5-6H2
InChIKeyFHOGPAPIHDGDTB-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.19
Rot. Bonds1

About 4-cyclobutyl-2,5-dihydropyridine

4-cyclobutyl-2,5-dihydropyridine (PubChem CID 57080899) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 4-cyclobutyl-2,5-dihydropyridine.

Molecular Properties

Compound Name4-cyclobutyl-2,5-dihydropyridine
PubChem CID57080899
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name4-cyclobutyl-2,5-dihydropyridine
SMILESC1=NCC=C(C2CCC2)C1
InChIInChI=1S/C9H13N/c1-2-8(3-1)9-4-6-10-7-5-9/h4,7-8H,1-3,5-6H2
InChIKeyFHOGPAPIHDGDTB-UHFFFAOYSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.19
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

3-Cyclobutyl-2,5-dihydropyridine
CID 57006767
4-Cyclooctyl-2,5-dihydropyridine
CID 57059572
4-Cycloheptyl-2,5-dihydropyridine
CID 57091651
4-Cyclopropyl-2,5-dihydropyridine
CID 57099917
4-Cyclohexyl-2,5-dihydropyridine
CID 57199246
4,6,7,8,9,9a-hexahydro-3H-2-benzazepine
CID 67535755
(Z)-3-(2,4-dimethylcyclobutyl)-N-methylbut-2-en-1-imine
CID 89029589
4-(2,3,4,5-Tetrahydropyridin-3-yl)-2,5-dihydropyridine
CID 91198171
3,5,8,8a-Tetrahydroisoquinoline
CID 91387074
3,5,6,8a-Tetrahydroisoquinoline
CID 91438184
5-Methyl-7-azabicyclo[4.2.0]octa-4,7-diene
CID 91454334
3,5,6,7,8,8a-Hexahydroisoquinoline
CID 91488395

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-2,5-dihydropyridine?
The IUPAC name of 4-cyclobutyl-2,5-dihydropyridine (CID 57080899) is 4-cyclobutyl-2,5-dihydropyridine.
What is the SMILES notation for 4-cyclobutyl-2,5-dihydropyridine?
The canonical SMILES for 4-cyclobutyl-2,5-dihydropyridine is C1=NCC=C(C2CCC2)C1.
What is the InChIKey of 4-cyclobutyl-2,5-dihydropyridine?
The InChIKey is FHOGPAPIHDGDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-2-8(3-1)9-4-6-10-7-5-9/h4,7-8H,1-3,5-6H2.
What are the key properties of 4-cyclobutyl-2,5-dihydropyridine?
4-cyclobutyl-2,5-dihydropyridine has a molecular weight of 135.21 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-2,5-dihydropyridine is sourced from PubChem (CID 57080899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).