2-cyclobutyl-2,5-dihydropyridine

C9H13N — CID 54269617

IUPAC2-cyclobutyl-2,5-dihydropyridine
SMILESC1=CC(C2CCC2)N=CC1
InChIInChI=1S/C9H13N/c1-2-7-10-9(6-1)8-4-3-5-8/h1,6-9H,2-5H2
InChIKeyCKLOUGCARRPCPT-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.19
Rot. Bonds1

About 2-cyclobutyl-2,5-dihydropyridine

2-cyclobutyl-2,5-dihydropyridine (PubChem CID 54269617) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 2-cyclobutyl-2,5-dihydropyridine.

Molecular Properties

Compound Name2-cyclobutyl-2,5-dihydropyridine
PubChem CID54269617
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name2-cyclobutyl-2,5-dihydropyridine
SMILESC1=CC(C2CCC2)N=CC1
InChIInChI=1S/C9H13N/c1-2-7-10-9(6-1)8-4-3-5-8/h1,6-9H,2-5H2
InChIKeyCKLOUGCARRPCPT-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-Azabicyclo[3.2.1]octa-2,6-diene
CID 12471325
2-Cyclopentyl-2,5-dihydropyridine
CID 53805936
(4aS,8aS)-3,4,4a,8a-tetrahydroquinoline
CID 53824787
3,4,4a,8a-Tetrahydroquinoline
CID 54092524
2-Cyclopropyl-2,5-dihydropyridine
CID 54163106
2-Cyclohexyl-2,5-dihydropyridine
CID 54370120
4,5,5a,9a-tetrahydro-3H-1-benzazepine
CID 54378898
2,6-Di(cyclobutyl)-2,5-dihydropyridine
CID 54513464
(8aS)-3,4,4a,8a-tetrahydroquinoline
CID 56628707
3-Cyclobutyl-2,5-dihydropyridine
CID 57006767
(8aR)-3,4,4a,8a-tetrahydroquinoline
CID 57135717
2,3-Bis(prop-2-enyl)-2,3-dihydropyridine
CID 67802550

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2,5-dihydropyridine?
The IUPAC name of 2-cyclobutyl-2,5-dihydropyridine (CID 54269617) is 2-cyclobutyl-2,5-dihydropyridine.
What is the SMILES notation for 2-cyclobutyl-2,5-dihydropyridine?
The canonical SMILES for 2-cyclobutyl-2,5-dihydropyridine is C1=CC(C2CCC2)N=CC1.
What is the InChIKey of 2-cyclobutyl-2,5-dihydropyridine?
The InChIKey is CKLOUGCARRPCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-2-7-10-9(6-1)8-4-3-5-8/h1,6-9H,2-5H2.
What are the key properties of 2-cyclobutyl-2,5-dihydropyridine?
2-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 2-cyclobutyl-2,5-dihydropyridine is sourced from PubChem (CID 54269617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).