3-cyclobutyl-2,5-dihydropyridine

C9H13N — CID 57006767

IUPAC3-cyclobutyl-2,5-dihydropyridine
SMILESC1=NCC(C2CCC2)=CC1
InChIInChI=1S/C9H13N/c1-3-8(4-1)9-5-2-6-10-7-9/h5-6,8H,1-4,7H2
InChIKeyASUDOQXVPLBNOI-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.19
Rot. Bonds1

About 3-cyclobutyl-2,5-dihydropyridine

3-cyclobutyl-2,5-dihydropyridine (PubChem CID 57006767) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 3-cyclobutyl-2,5-dihydropyridine.

Molecular Properties

Compound Name3-cyclobutyl-2,5-dihydropyridine
PubChem CID57006767
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name3-cyclobutyl-2,5-dihydropyridine
SMILESC1=NCC(C2CCC2)=CC1
InChIInChI=1S/C9H13N/c1-3-8(4-1)9-5-2-6-10-7-9/h5-6,8H,1-4,7H2
InChIKeyASUDOQXVPLBNOI-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

2-Cyclobutyl-2,5-dihydropyridine
CID 54269617
3-Cyclopropyl-2,5-dihydropyridine
CID 57027550
3,5-Diethyl-2,5-dihydropyridine
CID 57046703
4-Cyclobutyl-2,5-dihydropyridine
CID 57080899
4-(2,3,4,5-Tetrahydropyridin-3-yl)-2,5-dihydropyridine
CID 91198171
5-Methyl-7-azabicyclo[4.2.0]octa-4,7-diene
CID 91454334
3,4-Diethyl-2,3-dihydropyridine
CID 123611467
4-[(Z)-but-2-enyl]-3-methylidene-2,4-dihydropyrrole
CID 130413605
4-Methyl-3-propyl-2,3-dihydropyridine
CID 163619431
3-(Cyclobuten-1-yl)-5-methyl-2,3-dihydropyridine
CID 170382006
1,4,4a,5,6,7-Hexahydroisoquinoline
CID 173176211
4-(2-Methylpropyl)-2,5-dihydropyridine
CID 177775555

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-2,5-dihydropyridine?
The IUPAC name of 3-cyclobutyl-2,5-dihydropyridine (CID 57006767) is 3-cyclobutyl-2,5-dihydropyridine.
What is the SMILES notation for 3-cyclobutyl-2,5-dihydropyridine?
The canonical SMILES for 3-cyclobutyl-2,5-dihydropyridine is C1=NCC(C2CCC2)=CC1.
What is the InChIKey of 3-cyclobutyl-2,5-dihydropyridine?
The InChIKey is ASUDOQXVPLBNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-3-8(4-1)9-5-2-6-10-7-9/h5-6,8H,1-4,7H2.
What are the key properties of 3-cyclobutyl-2,5-dihydropyridine?
3-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 3-cyclobutyl-2,5-dihydropyridine is sourced from PubChem (CID 57006767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).