4-ethenyl-1-methyl-2,3-dihydropyridin-6-one;(E)-3-methylpent-2-ene

C14H23NO — CID 143588674

IUPAC4-ethenyl-1-methyl-2,3-dihydropyridin-6-one;(E)-3-methylpent-2-ene
SMILESC/C=C(\C)CC.C=CC1=CC(=O)N(C)CC1
InChIInChI=1S/C8H11NO.C6H12/c1-3-7-4-5-9(2)8(10)6-7;1-4-6(3)5-2/h3,6H,1,4-5H2,2H3;4H,5H2,1-3H3/b;6-4+
InChIKeyACZZHUURTRURSX-DVXCEAISSA-N
MW221.34 g/mol
LogP3.32
Rot. Bonds2

About 4-ethenyl-1-methyl-2,3-dihydropyridin-6-one;(E)-3-methylpent-2-ene

4-ethenyl-1-methyl-2,3-dihydropyridin-6-one;(E)-3-methylpent-2-ene (PubChem CID 143588674) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-ethenyl-1-methyl-2,3-dihydropyridin-6-one;(E)-3-methylpent-2-ene.

Molecular Properties

Compound Name4-ethenyl-1-methyl-2,3-dihydropyridin-6-one;(E)-3-methylpent-2-ene
PubChem CID143588674
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-ethenyl-1-methyl-2,3-dihydropyridin-6-one;(E)-3-methylpent-2-ene
SMILESC/C=C(\C)CC.C=CC1=CC(=O)N(C)CC1
InChIInChI=1S/C8H11NO.C6H12/c1-3-7-4-5-9(2)8(10)6-7;1-4-6(3)5-2/h3,6H,1,4-5H2,2H3;4H,5H2,1-3H3/b;6-4+
InChIKeyACZZHUURTRURSX-DVXCEAISSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
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-ethenyl-1-methyl-2,3-dihydropyridin-6-one;(E)-3-methylpent-2-ene?
The IUPAC name of 4-ethenyl-1-methyl-2,3-dihydropyridin-6-one;(E)-3-methylpent-2-ene (CID 143588674) is 4-ethenyl-1-methyl-2,3-dihydropyridin-6-one;(E)-3-methylpent-2-ene.
What is the SMILES notation for 4-ethenyl-1-methyl-2,3-dihydropyridin-6-one;(E)-3-methylpent-2-ene?
The canonical SMILES for 4-ethenyl-1-methyl-2,3-dihydropyridin-6-one;(E)-3-methylpent-2-ene is C/C=C(\C)CC.C=CC1=CC(=O)N(C)CC1.
What is the InChIKey of 4-ethenyl-1-methyl-2,3-dihydropyridin-6-one;(E)-3-methylpent-2-ene?
The InChIKey is ACZZHUURTRURSX-DVXCEAISSA-N. The full InChI is InChI=1S/C8H11NO.C6H12/c1-3-7-4-5-9(2)8(10)6-7;1-4-6(3)5-2/h3,6H,1,4-5H2,2H3;4H,5H2,1-3H3/b;6-4+.
What are the key properties of 4-ethenyl-1-methyl-2,3-dihydropyridin-6-one;(E)-3-methylpent-2-ene?
4-ethenyl-1-methyl-2,3-dihydropyridin-6-one;(E)-3-methylpent-2-ene has a molecular weight of 221.34 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-methyl-2,3-dihydropyridin-6-one;(E)-3-methylpent-2-ene is sourced from PubChem (CID 143588674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).