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

C15H15NO2 — CID 59749962

IUPAC(4Z)-2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one
SMILESCOC1=C/C(=C\C=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/b13-4-
InChIKeyKSBMSWVXSULCLG-PQMHYQBVSA-N
MW241.29 g/mol
LogP2.48
Rot. Bonds2

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

(4Z)-2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one (PubChem CID 59749962) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (4Z)-2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name(4Z)-2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one
PubChem CID59749962
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(4Z)-2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one
SMILESCOC1=C/C(=C\C=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/b13-4-
InChIKeyKSBMSWVXSULCLG-PQMHYQBVSA-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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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one?
The IUPAC name of (4Z)-2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one (CID 59749962) is (4Z)-2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one.
What is the SMILES notation for (4Z)-2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one?
The canonical SMILES for (4Z)-2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one is COC1=C/C(=C\C=C2C=CN(C)C=C2)C=CC1=O.
What is the InChIKey of (4Z)-2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one?
The InChIKey is KSBMSWVXSULCLG-PQMHYQBVSA-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/b13-4-.
What are the key properties of (4Z)-2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one?
(4Z)-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 (4Z)-2-methoxy-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 59749962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).