2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one

C15H15NO2 — CID 73008959

IUPAC2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one
SMILESCOC1=CC(=CC=C2C=CN(C)C=C2)C=CC1=O
InChIInChI=1S/C15H15NO2/c1-16-9-7-12(8-10-16)3-4-13-5-6-14(17)15(11-13)18-2/h3-11H,1-2H3
InChIKeyKSBMSWVXSULCLG-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.48
Rot. Bonds2

About 2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one

2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one (PubChem CID 73008959) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one
PubChem CID73008959
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one
SMILESCOC1=CC(=CC=C2C=CN(C)C=C2)C=CC1=O
InChIInChI=1S/C15H15NO2/c1-16-9-7-12(8-10-16)3-4-13-5-6-14(17)15(11-13)18-2/h3-11H,1-2H3
InChIKeyKSBMSWVXSULCLG-UHFFFAOYSA-N
XLogP2.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methoxy-1,2-dimethyl-pyridin-4-one
CID 13011399
(4E)-4-[[hydroxy(methyl)amino]methylidene]-2-methoxycyclohexa-2,5-dien-1-one
CID 18806819
4-[2-(1-Methyl-1h-pyridin-4-ylidene)-ethylidene]-2,6-dimethoxy-cyclohexa-2,5-dienone
CID 129830438
4-[[Hydroxy(methyl)amino]methylidene]-2-methoxycyclohexa-2,5-dien-1-one
CID 4702382
7-Methoxy-2-methyl-3,4-dihydroisoquinolin-6-one
CID 101413043
(4Z)-4-[[hydroxy(propan-2-yl)amino]methylidene]-2-methoxycyclohexa-2,5-dien-1-one
CID 59642046
(4Z)-2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 59749962
(Z)-N-(4-hydroxy-3-methoxybenzylidene)propan-2-amine oxide
CID 72345837
3-(Deuteriomethoxy)-1,2-dimethylpyridin-4-one
CID 118488333
2-methoxy-3-[(E)-2-(methylamino)ethenyl]cyclohepta-2,4,6-trien-1-one
CID 163435989
(4E)-2-ethoxy-4-[[ethyl(hydroxy)amino]methylidene]cyclohexa-2,5-dien-1-one
CID 166527596
(4E)-2-ethoxy-4-[[hydroxy(methyl)amino]methylidene]cyclohexa-2,5-dien-1-one
CID 166527670

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one?
The IUPAC name of 2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one (CID 73008959) is 2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one?
The canonical SMILES for 2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one is COC1=CC(=CC=C2C=CN(C)C=C2)C=CC1=O.
What is the InChIKey of 2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one?
The InChIKey is KSBMSWVXSULCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-16-9-7-12(8-10-16)3-4-13-5-6-14(17)15(11-13)18-2/h3-11H,1-2H3.
What are the key properties of 2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one?
2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one has a molecular weight of 241.29 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 73008959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).