2-[(E)-3-methylpent-1-enyl]pyridine

C11H15N — CID 154695111

IUPAC2-[(E)-3-methylpent-1-enyl]pyridine
SMILESCCC(C)/C=C/c1ccccn1
InChIInChI=1S/C11H15N/c1-3-10(2)7-8-11-6-4-5-9-12-11/h4-10H,3H2,1-2H3/b8-7+
InChIKeyKPKKHNMKLSRYIO-BQYQJAHWSA-N
MW161.25 g/mol
LogP3.14
Rot. Bonds3

About 2-[(E)-3-methylpent-1-enyl]pyridine

2-[(E)-3-methylpent-1-enyl]pyridine (PubChem CID 154695111) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-[(E)-3-methylpent-1-enyl]pyridine.

Molecular Properties

Compound Name2-[(E)-3-methylpent-1-enyl]pyridine
PubChem CID154695111
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name2-[(E)-3-methylpent-1-enyl]pyridine
SMILESCCC(C)/C=C/c1ccccn1
InChIInChI=1S/C11H15N/c1-3-10(2)7-8-11-6-4-5-9-12-11/h4-10H,3H2,1-2H3/b8-7+
InChIKeyKPKKHNMKLSRYIO-BQYQJAHWSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-methylpent-1-enyl]pyridine?
The IUPAC name of 2-[(E)-3-methylpent-1-enyl]pyridine (CID 154695111) is 2-[(E)-3-methylpent-1-enyl]pyridine.
What is the SMILES notation for 2-[(E)-3-methylpent-1-enyl]pyridine?
The canonical SMILES for 2-[(E)-3-methylpent-1-enyl]pyridine is CCC(C)/C=C/c1ccccn1.
What is the InChIKey of 2-[(E)-3-methylpent-1-enyl]pyridine?
The InChIKey is KPKKHNMKLSRYIO-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H15N/c1-3-10(2)7-8-11-6-4-5-9-12-11/h4-10H,3H2,1-2H3/b8-7+.
What are the key properties of 2-[(E)-3-methylpent-1-enyl]pyridine?
2-[(E)-3-methylpent-1-enyl]pyridine has a molecular weight of 161.25 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-methylpent-1-enyl]pyridine is sourced from PubChem (CID 154695111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).