5-ethylidene-1-(2-methoxyethyl)-6-methylidene-3-propan-2-ylpyridin-2-one

C14H21NO2 — CID 123554015

IUPAC5-ethylidene-1-(2-methoxyethyl)-6-methylidene-3-propan-2-ylpyridin-2-one
SMILESC=c1c(=CC)cc(C(C)C)c(=O)n1CCOC
InChIInChI=1S/C14H21NO2/c1-6-12-9-13(10(2)3)14(16)15(11(12)4)7-8-17-5/h6,9-10H,4,7-8H2,1-3,5H3
InChIKeyVKDZKEQLEYFFPL-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.83
Rot. Bonds4

About 5-ethylidene-1-(2-methoxyethyl)-6-methylidene-3-propan-2-ylpyridin-2-one

5-ethylidene-1-(2-methoxyethyl)-6-methylidene-3-propan-2-ylpyridin-2-one (PubChem CID 123554015) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-ethylidene-1-(2-methoxyethyl)-6-methylidene-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-ethylidene-1-(2-methoxyethyl)-6-methylidene-3-propan-2-ylpyridin-2-one
PubChem CID123554015
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name5-ethylidene-1-(2-methoxyethyl)-6-methylidene-3-propan-2-ylpyridin-2-one
SMILESC=c1c(=CC)cc(C(C)C)c(=O)n1CCOC
InChIInChI=1S/C14H21NO2/c1-6-12-9-13(10(2)3)14(16)15(11(12)4)7-8-17-5/h6,9-10H,4,7-8H2,1-3,5H3
InChIKeyVKDZKEQLEYFFPL-UHFFFAOYSA-N
XLogP0.83
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethylidene-1-(2-methoxyethyl)-6-methylidene-3-propan-2-ylpyridin-2-one?
The IUPAC name of 5-ethylidene-1-(2-methoxyethyl)-6-methylidene-3-propan-2-ylpyridin-2-one (CID 123554015) is 5-ethylidene-1-(2-methoxyethyl)-6-methylidene-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-ethylidene-1-(2-methoxyethyl)-6-methylidene-3-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-ethylidene-1-(2-methoxyethyl)-6-methylidene-3-propan-2-ylpyridin-2-one is C=c1c(=CC)cc(C(C)C)c(=O)n1CCOC.
What is the InChIKey of 5-ethylidene-1-(2-methoxyethyl)-6-methylidene-3-propan-2-ylpyridin-2-one?
The InChIKey is VKDZKEQLEYFFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-6-12-9-13(10(2)3)14(16)15(11(12)4)7-8-17-5/h6,9-10H,4,7-8H2,1-3,5H3.
What are the key properties of 5-ethylidene-1-(2-methoxyethyl)-6-methylidene-3-propan-2-ylpyridin-2-one?
5-ethylidene-1-(2-methoxyethyl)-6-methylidene-3-propan-2-ylpyridin-2-one has a molecular weight of 235.33 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-1-(2-methoxyethyl)-6-methylidene-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 123554015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).