4,6,6-tris(prop-2-enyl)-1,3-dihydropyridin-2-one

C14H19NO — CID 70519383

IUPAC4,6,6-tris(prop-2-enyl)-1,3-dihydropyridin-2-one
SMILESC=CCC1=CC(CC=C)(CC=C)NC(=O)C1
InChIInChI=1S/C14H19NO/c1-4-7-12-10-13(16)15-14(11-12,8-5-2)9-6-3/h4-6,11H,1-3,7-10H2,(H,15,16)
InChIKeyBTCGGWKLHDRDBF-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.90
Rot. Bonds6

About 4,6,6-tris(prop-2-enyl)-1,3-dihydropyridin-2-one

4,6,6-tris(prop-2-enyl)-1,3-dihydropyridin-2-one (PubChem CID 70519383) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4,6,6-tris(prop-2-enyl)-1,3-dihydropyridin-2-one.

Molecular Properties

Compound Name4,6,6-tris(prop-2-enyl)-1,3-dihydropyridin-2-one
PubChem CID70519383
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4,6,6-tris(prop-2-enyl)-1,3-dihydropyridin-2-one
SMILESC=CCC1=CC(CC=C)(CC=C)NC(=O)C1
InChIInChI=1S/C14H19NO/c1-4-7-12-10-13(16)15-14(11-12,8-5-2)9-6-3/h4-6,11H,1-3,7-10H2,(H,15,16)
InChIKeyBTCGGWKLHDRDBF-UHFFFAOYSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6,6-tris(prop-2-enyl)-1,3-dihydropyridin-2-one?
The IUPAC name of 4,6,6-tris(prop-2-enyl)-1,3-dihydropyridin-2-one (CID 70519383) is 4,6,6-tris(prop-2-enyl)-1,3-dihydropyridin-2-one.
What is the SMILES notation for 4,6,6-tris(prop-2-enyl)-1,3-dihydropyridin-2-one?
The canonical SMILES for 4,6,6-tris(prop-2-enyl)-1,3-dihydropyridin-2-one is C=CCC1=CC(CC=C)(CC=C)NC(=O)C1.
What is the InChIKey of 4,6,6-tris(prop-2-enyl)-1,3-dihydropyridin-2-one?
The InChIKey is BTCGGWKLHDRDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-7-12-10-13(16)15-14(11-12,8-5-2)9-6-3/h4-6,11H,1-3,7-10H2,(H,15,16).
What are the key properties of 4,6,6-tris(prop-2-enyl)-1,3-dihydropyridin-2-one?
4,6,6-tris(prop-2-enyl)-1,3-dihydropyridin-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6-tris(prop-2-enyl)-1,3-dihydropyridin-2-one is sourced from PubChem (CID 70519383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).