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

C11H15N — CID 59772955

IUPAC4-methyl-2-[(E)-pent-1-enyl]pyridine
SMILESCCC/C=C/c1cc(C)ccn1
InChIInChI=1S/C11H15N/c1-3-4-5-6-11-9-10(2)7-8-12-11/h5-9H,3-4H2,1-2H3/b6-5+
InChIKeyXTKLXWPLNQZRRF-AATRIKPKSA-N
MW161.25 g/mol
LogP3.20
Rot. Bonds3

About 4-methyl-2-[(E)-pent-1-enyl]pyridine

4-methyl-2-[(E)-pent-1-enyl]pyridine (PubChem CID 59772955) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 4-methyl-2-[(E)-pent-1-enyl]pyridine.

Molecular Properties

Compound Name4-methyl-2-[(E)-pent-1-enyl]pyridine
PubChem CID59772955
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name4-methyl-2-[(E)-pent-1-enyl]pyridine
SMILESCCC/C=C/c1cc(C)ccn1
InChIInChI=1S/C11H15N/c1-3-4-5-6-11-9-10(2)7-8-12-11/h5-9H,3-4H2,1-2H3/b6-5+
InChIKeyXTKLXWPLNQZRRF-AATRIKPKSA-N
XLogP3.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(E)-pent-1-enyl]pyridine?
The IUPAC name of 4-methyl-2-[(E)-pent-1-enyl]pyridine (CID 59772955) is 4-methyl-2-[(E)-pent-1-enyl]pyridine.
What is the SMILES notation for 4-methyl-2-[(E)-pent-1-enyl]pyridine?
The canonical SMILES for 4-methyl-2-[(E)-pent-1-enyl]pyridine is CCC/C=C/c1cc(C)ccn1.
What is the InChIKey of 4-methyl-2-[(E)-pent-1-enyl]pyridine?
The InChIKey is XTKLXWPLNQZRRF-AATRIKPKSA-N. The full InChI is InChI=1S/C11H15N/c1-3-4-5-6-11-9-10(2)7-8-12-11/h5-9H,3-4H2,1-2H3/b6-5+.
What are the key properties of 4-methyl-2-[(E)-pent-1-enyl]pyridine?
4-methyl-2-[(E)-pent-1-enyl]pyridine has a molecular weight of 161.25 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(E)-pent-1-enyl]pyridine is sourced from PubChem (CID 59772955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).