4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1-ethyl-2,3-dihydropyridin-6-one;ethane

C17H29NO — CID 143012045

IUPAC4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1-ethyl-2,3-dihydropyridin-6-one;ethane
SMILESC=C/C=C\C1=C(C=C)C(=O)N(CC)CC1.CC.CC
InChIInChI=1S/C13H17NO.2C2H6/c1-4-7-8-11-9-10-14(6-3)13(15)12(11)5-2;2*1-2/h4-5,7-8H,1-2,6,9-10H2,3H3;2*1-2H3/b8-7-;;
InChIKeyZROFIJOGJWXEJW-OTMFCZTRSA-N
MW263.43 g/mol
LogP4.52
Rot. Bonds4

About 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1-ethyl-2,3-dihydropyridin-6-one;ethane

4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1-ethyl-2,3-dihydropyridin-6-one;ethane (PubChem CID 143012045) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1-ethyl-2,3-dihydropyridin-6-one;ethane.

Molecular Properties

Compound Name4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1-ethyl-2,3-dihydropyridin-6-one;ethane
PubChem CID143012045
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1-ethyl-2,3-dihydropyridin-6-one;ethane
SMILESC=C/C=C\C1=C(C=C)C(=O)N(CC)CC1.CC.CC
InChIInChI=1S/C13H17NO.2C2H6/c1-4-7-8-11-9-10-14(6-3)13(15)12(11)5-2;2*1-2/h4-5,7-8H,1-2,6,9-10H2,3H3;2*1-2H3/b8-7-;;
InChIKeyZROFIJOGJWXEJW-OTMFCZTRSA-N
XLogP4.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1-ethyl-2,3-dihydropyridin-6-one;ethane 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-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1-ethyl-2,3-dihydropyridin-6-one;ethane?
The IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1-ethyl-2,3-dihydropyridin-6-one;ethane (CID 143012045) is 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1-ethyl-2,3-dihydropyridin-6-one;ethane.
What is the SMILES notation for 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1-ethyl-2,3-dihydropyridin-6-one;ethane?
The canonical SMILES for 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1-ethyl-2,3-dihydropyridin-6-one;ethane is C=C/C=C\C1=C(C=C)C(=O)N(CC)CC1.CC.CC.
What is the InChIKey of 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1-ethyl-2,3-dihydropyridin-6-one;ethane?
The InChIKey is ZROFIJOGJWXEJW-OTMFCZTRSA-N. The full InChI is InChI=1S/C13H17NO.2C2H6/c1-4-7-8-11-9-10-14(6-3)13(15)12(11)5-2;2*1-2/h4-5,7-8H,1-2,6,9-10H2,3H3;2*1-2H3/b8-7-;;.
What are the key properties of 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1-ethyl-2,3-dihydropyridin-6-one;ethane?
4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1-ethyl-2,3-dihydropyridin-6-one;ethane has a molecular weight of 263.43 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1-ethyl-2,3-dihydropyridin-6-one;ethane is sourced from PubChem (CID 143012045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).