5-[(E)-hex-4-en-2-yl]-1-methyl-6-(2-methylpropanoyl)-3,4-dihydropyridin-2-one

C16H25NO2 — CID 166929772

IUPAC5-[(E)-hex-4-en-2-yl]-1-methyl-6-(2-methylpropanoyl)-3,4-dihydropyridin-2-one
SMILESC/C=C/CC(C)C1=C(C(=O)C(C)C)N(C)C(=O)CC1
InChIInChI=1S/C16H25NO2/c1-6-7-8-12(4)13-9-10-14(18)17(5)15(13)16(19)11(2)3/h6-7,11-12H,8-10H2,1-5H3/b7-6+
InChIKeyLORAILQVFWMJCX-VOTSOKGWSA-N
MW263.38 g/mol
LogP3.32
Rot. Bonds5

About 5-[(E)-hex-4-en-2-yl]-1-methyl-6-(2-methylpropanoyl)-3,4-dihydropyridin-2-one

5-[(E)-hex-4-en-2-yl]-1-methyl-6-(2-methylpropanoyl)-3,4-dihydropyridin-2-one (PubChem CID 166929772) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-[(E)-hex-4-en-2-yl]-1-methyl-6-(2-methylpropanoyl)-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name5-[(E)-hex-4-en-2-yl]-1-methyl-6-(2-methylpropanoyl)-3,4-dihydropyridin-2-one
PubChem CID166929772
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name5-[(E)-hex-4-en-2-yl]-1-methyl-6-(2-methylpropanoyl)-3,4-dihydropyridin-2-one
SMILESC/C=C/CC(C)C1=C(C(=O)C(C)C)N(C)C(=O)CC1
InChIInChI=1S/C16H25NO2/c1-6-7-8-12(4)13-9-10-14(18)17(5)15(13)16(19)11(2)3/h6-7,11-12H,8-10H2,1-5H3/b7-6+
InChIKeyLORAILQVFWMJCX-VOTSOKGWSA-N
XLogP3.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-[(E)-hex-4-en-2-yl]-1-methyl-6-(2-methylpropanoyl)-3,4-dihydropyridin-2-one?
The IUPAC name of 5-[(E)-hex-4-en-2-yl]-1-methyl-6-(2-methylpropanoyl)-3,4-dihydropyridin-2-one (CID 166929772) is 5-[(E)-hex-4-en-2-yl]-1-methyl-6-(2-methylpropanoyl)-3,4-dihydropyridin-2-one.
What is the SMILES notation for 5-[(E)-hex-4-en-2-yl]-1-methyl-6-(2-methylpropanoyl)-3,4-dihydropyridin-2-one?
The canonical SMILES for 5-[(E)-hex-4-en-2-yl]-1-methyl-6-(2-methylpropanoyl)-3,4-dihydropyridin-2-one is C/C=C/CC(C)C1=C(C(=O)C(C)C)N(C)C(=O)CC1.
What is the InChIKey of 5-[(E)-hex-4-en-2-yl]-1-methyl-6-(2-methylpropanoyl)-3,4-dihydropyridin-2-one?
The InChIKey is LORAILQVFWMJCX-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-7-8-12(4)13-9-10-14(18)17(5)15(13)16(19)11(2)3/h6-7,11-12H,8-10H2,1-5H3/b7-6+.
What are the key properties of 5-[(E)-hex-4-en-2-yl]-1-methyl-6-(2-methylpropanoyl)-3,4-dihydropyridin-2-one?
5-[(E)-hex-4-en-2-yl]-1-methyl-6-(2-methylpropanoyl)-3,4-dihydropyridin-2-one has a molecular weight of 263.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-hex-4-en-2-yl]-1-methyl-6-(2-methylpropanoyl)-3,4-dihydropyridin-2-one is sourced from PubChem (CID 166929772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).