2-[(E)-3-methylbut-1-enyl]-5-pyrrolidin-1-ylpyridine

C14H20N2 — CID 155772719

IUPAC2-[(E)-3-methylbut-1-enyl]-5-pyrrolidin-1-ylpyridine
SMILESCC(C)/C=C/c1ccc(N2CCCC2)cn1
InChIInChI=1S/C14H20N2/c1-12(2)5-6-13-7-8-14(11-15-13)16-9-3-4-10-16/h5-8,11-12H,3-4,9-10H2,1-2H3/b6-5+
InChIKeyHSJITQZPWABWES-AATRIKPKSA-N
MW216.33 g/mol
LogP3.35
Rot. Bonds3

About 2-[(E)-3-methylbut-1-enyl]-5-pyrrolidin-1-ylpyridine

2-[(E)-3-methylbut-1-enyl]-5-pyrrolidin-1-ylpyridine (PubChem CID 155772719) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-[(E)-3-methylbut-1-enyl]-5-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name2-[(E)-3-methylbut-1-enyl]-5-pyrrolidin-1-ylpyridine
PubChem CID155772719
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-[(E)-3-methylbut-1-enyl]-5-pyrrolidin-1-ylpyridine
SMILESCC(C)/C=C/c1ccc(N2CCCC2)cn1
InChIInChI=1S/C14H20N2/c1-12(2)5-6-13-7-8-14(11-15-13)16-9-3-4-10-16/h5-8,11-12H,3-4,9-10H2,1-2H3/b6-5+
InChIKeyHSJITQZPWABWES-AATRIKPKSA-N
XLogP3.35
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(E)-3-methylbut-1-enyl]-5-pyrrolidin-1-ylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-methylbut-1-enyl]-5-pyrrolidin-1-ylpyridine?
The IUPAC name of 2-[(E)-3-methylbut-1-enyl]-5-pyrrolidin-1-ylpyridine (CID 155772719) is 2-[(E)-3-methylbut-1-enyl]-5-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 2-[(E)-3-methylbut-1-enyl]-5-pyrrolidin-1-ylpyridine?
The canonical SMILES for 2-[(E)-3-methylbut-1-enyl]-5-pyrrolidin-1-ylpyridine is CC(C)/C=C/c1ccc(N2CCCC2)cn1.
What is the InChIKey of 2-[(E)-3-methylbut-1-enyl]-5-pyrrolidin-1-ylpyridine?
The InChIKey is HSJITQZPWABWES-AATRIKPKSA-N. The full InChI is InChI=1S/C14H20N2/c1-12(2)5-6-13-7-8-14(11-15-13)16-9-3-4-10-16/h5-8,11-12H,3-4,9-10H2,1-2H3/b6-5+.
What are the key properties of 2-[(E)-3-methylbut-1-enyl]-5-pyrrolidin-1-ylpyridine?
2-[(E)-3-methylbut-1-enyl]-5-pyrrolidin-1-ylpyridine has a molecular weight of 216.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-methylbut-1-enyl]-5-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 155772719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).