6-butyl-1-ethenyl-2H-pyridine

C11H17N — CID 54276006

IUPAC6-butyl-1-ethenyl-2H-pyridine
SMILESC=CN1CC=CC=C1CCCC
InChIInChI=1S/C11H17N/c1-3-5-8-11-9-6-7-10-12(11)4-2/h4,6-7,9H,2-3,5,8,10H2,1H3
InChIKeyRNMAETRSRPKQAX-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.08
Rot. Bonds4

About 6-butyl-1-ethenyl-2H-pyridine

6-butyl-1-ethenyl-2H-pyridine (PubChem CID 54276006) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 6-butyl-1-ethenyl-2H-pyridine.

Molecular Properties

Compound Name6-butyl-1-ethenyl-2H-pyridine
PubChem CID54276006
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name6-butyl-1-ethenyl-2H-pyridine
SMILESC=CN1CC=CC=C1CCCC
InChIInChI=1S/C11H17N/c1-3-5-8-11-9-6-7-10-12(11)4-2/h4,6-7,9H,2-3,5,8,10H2,1H3
InChIKeyRNMAETRSRPKQAX-UHFFFAOYSA-N
XLogP3.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-1-ethenyl-2H-pyridine?
The IUPAC name of 6-butyl-1-ethenyl-2H-pyridine (CID 54276006) is 6-butyl-1-ethenyl-2H-pyridine.
What is the SMILES notation for 6-butyl-1-ethenyl-2H-pyridine?
The canonical SMILES for 6-butyl-1-ethenyl-2H-pyridine is C=CN1CC=CC=C1CCCC.
What is the InChIKey of 6-butyl-1-ethenyl-2H-pyridine?
The InChIKey is RNMAETRSRPKQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-3-5-8-11-9-6-7-10-12(11)4-2/h4,6-7,9H,2-3,5,8,10H2,1H3.
What are the key properties of 6-butyl-1-ethenyl-2H-pyridine?
6-butyl-1-ethenyl-2H-pyridine has a molecular weight of 163.26 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-1-ethenyl-2H-pyridine is sourced from PubChem (CID 54276006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).