2,4-bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diolate

C20H24N2O2-2 — CID 22942818

IUPAC2,4-bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diolate
SMILESCC(=C1C=CN(C)C=C1)C1C([O-])C(C(C)=C2C=CN(C)C=C2)C1[O-]
InChIInChI=1S/C20H24N2O2/c1-13(15-5-9-21(3)10-6-15)17-19(23)18(20(17)24)14(2)16-7-11-22(4)12-8-16/h5-12,17-20H,1-4H3/q-2
InChIKeyOXPVYTFTXUKLEA-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.27
Rot. Bonds2

About 2,4-bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diolate

2,4-bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diolate (PubChem CID 22942818) has the molecular formula C20H24N2O2-2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2,4-bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diolate.

Molecular Properties

Compound Name2,4-bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diolate
PubChem CID22942818
Molecular FormulaC20H24N2O2-2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2,4-bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diolate
SMILESCC(=C1C=CN(C)C=C1)C1C([O-])C(C(C)=C2C=CN(C)C=C2)C1[O-]
InChIInChI=1S/C20H24N2O2/c1-13(15-5-9-21(3)10-6-15)17-19(23)18(20(17)24)14(2)16-7-11-22(4)12-8-16/h5-12,17-20H,1-4H3/q-2
InChIKeyOXPVYTFTXUKLEA-UHFFFAOYSA-N
XLogP1.27
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-Methyl-4-pyridinylidene)methyl]-4-[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diolate
CID 22942777
2,4-Bis[(1-methyl-4-pyridinylidene)methyl]cyclobutane-1,3-diolate
CID 22942856
2-[(3E)-4-(dimethylamino)-2-[(E)-2-(dimethylamino)ethenyl]buta-1,3-dienyl]-4-[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diolate
CID 22942910
2,4-Bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diol
CID 22942819
2,4-Bis[(1-methyl-4-pyridinylidene)methyl]cyclobutane-1,3-diol
CID 22942857

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diolate?
The IUPAC name of 2,4-bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diolate (CID 22942818) is 2,4-bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diolate.
What is the SMILES notation for 2,4-bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diolate?
The canonical SMILES for 2,4-bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diolate is CC(=C1C=CN(C)C=C1)C1C([O-])C(C(C)=C2C=CN(C)C=C2)C1[O-].
What is the InChIKey of 2,4-bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diolate?
The InChIKey is OXPVYTFTXUKLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-13(15-5-9-21(3)10-6-15)17-19(23)18(20(17)24)14(2)16-7-11-22(4)12-8-16/h5-12,17-20H,1-4H3/q-2.
What are the key properties of 2,4-bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diolate?
2,4-bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diolate has a molecular weight of 324.42 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diolate is sourced from PubChem (CID 22942818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).