3-cyclobutyl-1,2-dihydropyridine

C9H13N — CID 173279258

IUPAC3-cyclobutyl-1,2-dihydropyridine
SMILESC1=CNCC(C2CCC2)=C1
InChIInChI=1S/C9H13N/c1-3-8(4-1)9-5-2-6-10-7-9/h2,5-6,8,10H,1,3-4,7H2
InChIKeyWJCQEWQYEOEZMC-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.83
Rot. Bonds1

About 3-cyclobutyl-1,2-dihydropyridine

3-cyclobutyl-1,2-dihydropyridine (PubChem CID 173279258) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 3-cyclobutyl-1,2-dihydropyridine.

Molecular Properties

Compound Name3-cyclobutyl-1,2-dihydropyridine
PubChem CID173279258
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name3-cyclobutyl-1,2-dihydropyridine
SMILESC1=CNCC(C2CCC2)=C1
InChIInChI=1S/C9H13N/c1-3-8(4-1)9-5-2-6-10-7-9/h2,5-6,8,10H,1,3-4,7H2
InChIKeyWJCQEWQYEOEZMC-UHFFFAOYSA-N
XLogP1.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1,2-dihydropyridine?
The IUPAC name of 3-cyclobutyl-1,2-dihydropyridine (CID 173279258) is 3-cyclobutyl-1,2-dihydropyridine.
What is the SMILES notation for 3-cyclobutyl-1,2-dihydropyridine?
The canonical SMILES for 3-cyclobutyl-1,2-dihydropyridine is C1=CNCC(C2CCC2)=C1.
What is the InChIKey of 3-cyclobutyl-1,2-dihydropyridine?
The InChIKey is WJCQEWQYEOEZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-3-8(4-1)9-5-2-6-10-7-9/h2,5-6,8,10H,1,3-4,7H2.
What are the key properties of 3-cyclobutyl-1,2-dihydropyridine?
3-cyclobutyl-1,2-dihydropyridine has a molecular weight of 135.21 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1,2-dihydropyridine is sourced from PubChem (CID 173279258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).