1-methyl-5-[(E)-pent-1-enyl]-2H-pyridine

C11H17N — CID 69349490

IUPAC1-methyl-5-[(E)-pent-1-enyl]-2H-pyridine
SMILESCCC/C=C/C1=CN(C)CC=C1
InChIInChI=1S/C11H17N/c1-3-4-5-7-11-8-6-9-12(2)10-11/h5-8,10H,3-4,9H2,1-2H3/b7-5+
InChIKeyNXJGGZUHSDSAIQ-FNORWQNLSA-N
MW163.26 g/mol
LogP2.73
Rot. Bonds3

About 1-methyl-5-[(E)-pent-1-enyl]-2H-pyridine

1-methyl-5-[(E)-pent-1-enyl]-2H-pyridine (PubChem CID 69349490) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-methyl-5-[(E)-pent-1-enyl]-2H-pyridine.

Molecular Properties

Compound Name1-methyl-5-[(E)-pent-1-enyl]-2H-pyridine
PubChem CID69349490
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-methyl-5-[(E)-pent-1-enyl]-2H-pyridine
SMILESCCC/C=C/C1=CN(C)CC=C1
InChIInChI=1S/C11H17N/c1-3-4-5-7-11-8-6-9-12(2)10-11/h5-8,10H,3-4,9H2,1-2H3/b7-5+
InChIKeyNXJGGZUHSDSAIQ-FNORWQNLSA-N
XLogP2.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(E)-pent-1-enyl]-2H-pyridine?
The IUPAC name of 1-methyl-5-[(E)-pent-1-enyl]-2H-pyridine (CID 69349490) is 1-methyl-5-[(E)-pent-1-enyl]-2H-pyridine.
What is the SMILES notation for 1-methyl-5-[(E)-pent-1-enyl]-2H-pyridine?
The canonical SMILES for 1-methyl-5-[(E)-pent-1-enyl]-2H-pyridine is CCC/C=C/C1=CN(C)CC=C1.
What is the InChIKey of 1-methyl-5-[(E)-pent-1-enyl]-2H-pyridine?
The InChIKey is NXJGGZUHSDSAIQ-FNORWQNLSA-N. The full InChI is InChI=1S/C11H17N/c1-3-4-5-7-11-8-6-9-12(2)10-11/h5-8,10H,3-4,9H2,1-2H3/b7-5+.
What are the key properties of 1-methyl-5-[(E)-pent-1-enyl]-2H-pyridine?
1-methyl-5-[(E)-pent-1-enyl]-2H-pyridine has a molecular weight of 163.26 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(E)-pent-1-enyl]-2H-pyridine is sourced from PubChem (CID 69349490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).