5-(4-ethenyl-2-hydroxyphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde

C11H12N2O4S — CID 174578515

IUPAC5-(4-ethenyl-2-hydroxyphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde
SMILESC=Cc1ccc(N2CC(C=O)NS2(=O)=O)c(O)c1
InChIInChI=1S/C11H12N2O4S/c1-2-8-3-4-10(11(15)5-8)13-6-9(7-14)12-18(13,16)17/h2-5,7,9,12,15H,1,6H2
InChIKeyXQEFSWGMIWCCBJ-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.26
Rot. Bonds3

About 5-(4-ethenyl-2-hydroxyphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde

5-(4-ethenyl-2-hydroxyphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde (PubChem CID 174578515) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is 5-(4-ethenyl-2-hydroxyphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde.

Molecular Properties

Compound Name5-(4-ethenyl-2-hydroxyphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde
PubChem CID174578515
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name5-(4-ethenyl-2-hydroxyphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde
SMILESC=Cc1ccc(N2CC(C=O)NS2(=O)=O)c(O)c1
InChIInChI=1S/C11H12N2O4S/c1-2-8-3-4-10(11(15)5-8)13-6-9(7-14)12-18(13,16)17/h2-5,7,9,12,15H,1,6H2
InChIKeyXQEFSWGMIWCCBJ-UHFFFAOYSA-N
XLogP0.26
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethenyl-2-hydroxyphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde?
The IUPAC name of 5-(4-ethenyl-2-hydroxyphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde (CID 174578515) is 5-(4-ethenyl-2-hydroxyphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde.
What is the SMILES notation for 5-(4-ethenyl-2-hydroxyphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde?
The canonical SMILES for 5-(4-ethenyl-2-hydroxyphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde is C=Cc1ccc(N2CC(C=O)NS2(=O)=O)c(O)c1.
What is the InChIKey of 5-(4-ethenyl-2-hydroxyphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde?
The InChIKey is XQEFSWGMIWCCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c1-2-8-3-4-10(11(15)5-8)13-6-9(7-14)12-18(13,16)17/h2-5,7,9,12,15H,1,6H2.
What are the key properties of 5-(4-ethenyl-2-hydroxyphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde?
5-(4-ethenyl-2-hydroxyphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde has a molecular weight of 268.29 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethenyl-2-hydroxyphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde is sourced from PubChem (CID 174578515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).