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

C20H26N2O2 — CID 22942819

IUPAC2,4-bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diol
SMILESCC(=C1C=CN(C)C=C1)C1C(O)C(C(C)=C2C=CN(C)C=C2)C1O
InChIInChI=1S/C20H26N2O2/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/h5-12,17-20,23-24H,1-4H3
InChIKeyQXSFSMUFGPXQLA-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.53
Rot. Bonds2

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

2,4-bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diol (PubChem CID 22942819) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2,4-bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diol.

Molecular Properties

Compound Name2,4-bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diol
PubChem CID22942819
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2,4-bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diol
SMILESCC(=C1C=CN(C)C=C1)C1C(O)C(C(C)=C2C=CN(C)C=C2)C1O
InChIInChI=1S/C20H26N2O2/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/h5-12,17-20,23-24H,1-4H3
InChIKeyQXSFSMUFGPXQLA-UHFFFAOYSA-N
XLogP2.53
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diol?
The IUPAC name of 2,4-bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diol (CID 22942819) is 2,4-bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diol.
What is the SMILES notation for 2,4-bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diol?
The canonical SMILES for 2,4-bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diol is CC(=C1C=CN(C)C=C1)C1C(O)C(C(C)=C2C=CN(C)C=C2)C1O.
What is the InChIKey of 2,4-bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diol?
The InChIKey is QXSFSMUFGPXQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/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/h5-12,17-20,23-24H,1-4H3.
What are the key properties of 2,4-bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diol?
2,4-bis[1-(1-methyl-4-pyridinylidene)ethyl]cyclobutane-1,3-diol has a molecular weight of 326.44 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 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-diol is sourced from PubChem (CID 22942819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).