prop-2-enyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate

C11H12N2O4S — CID 47110644

IUPACprop-2-enyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate
SMILESC=CCOC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C11H12N2O4S/c1-2-6-17-11(14)9-3-4-10-12-18(15,16)7-5-13(10)8-9/h2-4,8H,1,5-7H2
InChIKeyOOYJOOCEZGSUCU-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.21
Rot. Bonds3

About prop-2-enyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate

prop-2-enyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate (PubChem CID 47110644) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is prop-2-enyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate
PubChem CID47110644
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Nameprop-2-enyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate
SMILESC=CCOC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C11H12N2O4S/c1-2-6-17-11(14)9-3-4-10-12-18(15,16)7-5-13(10)8-9/h2-4,8H,1,5-7H2
InChIKeyOOYJOOCEZGSUCU-UHFFFAOYSA-N
XLogP0.21
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate?
The IUPAC name of prop-2-enyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate (CID 47110644) is prop-2-enyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate.
What is the SMILES notation for prop-2-enyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate?
The canonical SMILES for prop-2-enyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate is C=CCOC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of prop-2-enyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate?
The InChIKey is OOYJOOCEZGSUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c1-2-6-17-11(14)9-3-4-10-12-18(15,16)7-5-13(10)8-9/h2-4,8H,1,5-7H2.
What are the key properties of prop-2-enyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate?
prop-2-enyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate has a molecular weight of 268.29 g/mol, XLogP of 0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate is sourced from PubChem (CID 47110644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).