4,5,5,6-tetrakis(prop-2-enyl)-3,4-dihydro-2H-pyridine

C17H25N — CID 69327479

IUPAC4,5,5,6-tetrakis(prop-2-enyl)-3,4-dihydro-2H-pyridine
SMILESC=CCC1=NCCC(CC=C)C1(CC=C)CC=C
InChIInChI=1S/C17H25N/c1-5-9-15-11-14-18-16(10-6-2)17(15,12-7-3)13-8-4/h5-8,15H,1-4,9-14H2
InChIKeyFJHIBXPYIXFVAB-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.74
Rot. Bonds8

About 4,5,5,6-tetrakis(prop-2-enyl)-3,4-dihydro-2H-pyridine

4,5,5,6-tetrakis(prop-2-enyl)-3,4-dihydro-2H-pyridine (PubChem CID 69327479) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 4,5,5,6-tetrakis(prop-2-enyl)-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name4,5,5,6-tetrakis(prop-2-enyl)-3,4-dihydro-2H-pyridine
PubChem CID69327479
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name4,5,5,6-tetrakis(prop-2-enyl)-3,4-dihydro-2H-pyridine
SMILESC=CCC1=NCCC(CC=C)C1(CC=C)CC=C
InChIInChI=1S/C17H25N/c1-5-9-15-11-14-18-16(10-6-2)17(15,12-7-3)13-8-4/h5-8,15H,1-4,9-14H2
InChIKeyFJHIBXPYIXFVAB-UHFFFAOYSA-N
XLogP4.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4,5,5,6-tetrakis(prop-2-enyl)-3,4-dihydro-2H-pyridine 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 4,5,5,6-tetrakis(prop-2-enyl)-3,4-dihydro-2H-pyridine?
The IUPAC name of 4,5,5,6-tetrakis(prop-2-enyl)-3,4-dihydro-2H-pyridine (CID 69327479) is 4,5,5,6-tetrakis(prop-2-enyl)-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 4,5,5,6-tetrakis(prop-2-enyl)-3,4-dihydro-2H-pyridine?
The canonical SMILES for 4,5,5,6-tetrakis(prop-2-enyl)-3,4-dihydro-2H-pyridine is C=CCC1=NCCC(CC=C)C1(CC=C)CC=C.
What is the InChIKey of 4,5,5,6-tetrakis(prop-2-enyl)-3,4-dihydro-2H-pyridine?
The InChIKey is FJHIBXPYIXFVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-5-9-15-11-14-18-16(10-6-2)17(15,12-7-3)13-8-4/h5-8,15H,1-4,9-14H2.
What are the key properties of 4,5,5,6-tetrakis(prop-2-enyl)-3,4-dihydro-2H-pyridine?
4,5,5,6-tetrakis(prop-2-enyl)-3,4-dihydro-2H-pyridine has a molecular weight of 243.39 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5,6-tetrakis(prop-2-enyl)-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 69327479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).