5-ethylidene-4-methoxy-6-(1-methoxyethylidene)-1-methyl-3-(3-methylbut-2-enyl)pyridin-2-one

C17H25NO3 — CID 123836490

IUPAC5-ethylidene-4-methoxy-6-(1-methoxyethylidene)-1-methyl-3-(3-methylbut-2-enyl)pyridin-2-one
SMILESCC=c1c(OC)c(CC=C(C)C)c(=O)n(C)c1=C(C)OC
InChIInChI=1S/C17H25NO3/c1-8-13-15(12(4)20-6)18(5)17(19)14(16(13)21-7)10-9-11(2)3/h8-9H,10H2,1-7H3
InChIKeyOOTMRLLJVYMTQH-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.48
Rot. Bonds4

About 5-ethylidene-4-methoxy-6-(1-methoxyethylidene)-1-methyl-3-(3-methylbut-2-enyl)pyridin-2-one

5-ethylidene-4-methoxy-6-(1-methoxyethylidene)-1-methyl-3-(3-methylbut-2-enyl)pyridin-2-one (PubChem CID 123836490) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 5-ethylidene-4-methoxy-6-(1-methoxyethylidene)-1-methyl-3-(3-methylbut-2-enyl)pyridin-2-one.

Molecular Properties

Compound Name5-ethylidene-4-methoxy-6-(1-methoxyethylidene)-1-methyl-3-(3-methylbut-2-enyl)pyridin-2-one
PubChem CID123836490
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name5-ethylidene-4-methoxy-6-(1-methoxyethylidene)-1-methyl-3-(3-methylbut-2-enyl)pyridin-2-one
SMILESCC=c1c(OC)c(CC=C(C)C)c(=O)n(C)c1=C(C)OC
InChIInChI=1S/C17H25NO3/c1-8-13-15(12(4)20-6)18(5)17(19)14(16(13)21-7)10-9-11(2)3/h8-9H,10H2,1-7H3
InChIKeyOOTMRLLJVYMTQH-UHFFFAOYSA-N
XLogP1.48
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-ethylidene-4-methoxy-6-(1-methoxyethylidene)-1-methyl-3-(3-methylbut-2-enyl)pyridin-2-one?
The IUPAC name of 5-ethylidene-4-methoxy-6-(1-methoxyethylidene)-1-methyl-3-(3-methylbut-2-enyl)pyridin-2-one (CID 123836490) is 5-ethylidene-4-methoxy-6-(1-methoxyethylidene)-1-methyl-3-(3-methylbut-2-enyl)pyridin-2-one.
What is the SMILES notation for 5-ethylidene-4-methoxy-6-(1-methoxyethylidene)-1-methyl-3-(3-methylbut-2-enyl)pyridin-2-one?
The canonical SMILES for 5-ethylidene-4-methoxy-6-(1-methoxyethylidene)-1-methyl-3-(3-methylbut-2-enyl)pyridin-2-one is CC=c1c(OC)c(CC=C(C)C)c(=O)n(C)c1=C(C)OC.
What is the InChIKey of 5-ethylidene-4-methoxy-6-(1-methoxyethylidene)-1-methyl-3-(3-methylbut-2-enyl)pyridin-2-one?
The InChIKey is OOTMRLLJVYMTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-8-13-15(12(4)20-6)18(5)17(19)14(16(13)21-7)10-9-11(2)3/h8-9H,10H2,1-7H3.
What are the key properties of 5-ethylidene-4-methoxy-6-(1-methoxyethylidene)-1-methyl-3-(3-methylbut-2-enyl)pyridin-2-one?
5-ethylidene-4-methoxy-6-(1-methoxyethylidene)-1-methyl-3-(3-methylbut-2-enyl)pyridin-2-one has a molecular weight of 291.39 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-4-methoxy-6-(1-methoxyethylidene)-1-methyl-3-(3-methylbut-2-enyl)pyridin-2-one is sourced from PubChem (CID 123836490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).