6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine

C8H13N — CID 15937508

IUPAC6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
SMILESC/C=C/C1=NCCCC1
InChIInChI=1S/C8H13N/c1-2-5-8-6-3-4-7-9-8/h2,5H,3-4,6-7H2,1H3/b5-2+
InChIKeySOEACRLLVZHBKW-GORDUTHDSA-N
MW123.20 g/mol
LogP2.19
Rot. Bonds1

About 6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine

6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine (PubChem CID 15937508) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
PubChem CID15937508
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
SMILESC/C=C/C1=NCCCC1
InChIInChI=1S/C8H13N/c1-2-5-8-6-3-4-7-9-8/h2,5H,3-4,6-7H2,1H3/b5-2+
InChIKeySOEACRLLVZHBKW-GORDUTHDSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine 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 6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine (CID 15937508) is 6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine is C/C=C/C1=NCCCC1.
What is the InChIKey of 6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine?
The InChIKey is SOEACRLLVZHBKW-GORDUTHDSA-N. The full InChI is InChI=1S/C8H13N/c1-2-5-8-6-3-4-7-9-8/h2,5H,3-4,6-7H2,1H3/b5-2+.
What are the key properties of 6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine?
6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine has a molecular weight of 123.20 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 15937508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).