1,3,4,5-tetrakis(prop-2-enyl)pyridin-2-one

C17H21NO — CID 70433438

IUPAC1,3,4,5-tetrakis(prop-2-enyl)pyridin-2-one
SMILESC=CCc1cn(CC=C)c(=O)c(CC=C)c1CC=C
InChIInChI=1S/C17H21NO/c1-5-9-14-13-18(12-8-4)17(19)16(11-7-3)15(14)10-6-2/h5-8,13H,1-4,9-12H2
InChIKeyBHMCCNSXKIXHIF-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.22
Rot. Bonds8

About 1,3,4,5-tetrakis(prop-2-enyl)pyridin-2-one

1,3,4,5-tetrakis(prop-2-enyl)pyridin-2-one (PubChem CID 70433438) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1,3,4,5-tetrakis(prop-2-enyl)pyridin-2-one.

Molecular Properties

Compound Name1,3,4,5-tetrakis(prop-2-enyl)pyridin-2-one
PubChem CID70433438
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1,3,4,5-tetrakis(prop-2-enyl)pyridin-2-one
SMILESC=CCc1cn(CC=C)c(=O)c(CC=C)c1CC=C
InChIInChI=1S/C17H21NO/c1-5-9-14-13-18(12-8-4)17(19)16(11-7-3)15(14)10-6-2/h5-8,13H,1-4,9-12H2
InChIKeyBHMCCNSXKIXHIF-UHFFFAOYSA-N
XLogP3.22
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3,4,5-tetrakis(prop-2-enyl)pyridin-2-one 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 1,3,4,5-tetrakis(prop-2-enyl)pyridin-2-one?
The IUPAC name of 1,3,4,5-tetrakis(prop-2-enyl)pyridin-2-one (CID 70433438) is 1,3,4,5-tetrakis(prop-2-enyl)pyridin-2-one.
What is the SMILES notation for 1,3,4,5-tetrakis(prop-2-enyl)pyridin-2-one?
The canonical SMILES for 1,3,4,5-tetrakis(prop-2-enyl)pyridin-2-one is C=CCc1cn(CC=C)c(=O)c(CC=C)c1CC=C.
What is the InChIKey of 1,3,4,5-tetrakis(prop-2-enyl)pyridin-2-one?
The InChIKey is BHMCCNSXKIXHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-5-9-14-13-18(12-8-4)17(19)16(11-7-3)15(14)10-6-2/h5-8,13H,1-4,9-12H2.
What are the key properties of 1,3,4,5-tetrakis(prop-2-enyl)pyridin-2-one?
1,3,4,5-tetrakis(prop-2-enyl)pyridin-2-one has a molecular weight of 255.36 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5-tetrakis(prop-2-enyl)pyridin-2-one is sourced from PubChem (CID 70433438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).