diethyl (3R)-3-prop-2-enyl-3,6-dihydropyridazine-1,2-dicarboxylate

C13H20N2O4 — CID 12000218

IUPACdiethyl (3R)-3-prop-2-enyl-3,6-dihydropyridazine-1,2-dicarboxylate
SMILESC=CC[C@@H]1C=CCN(C(=O)OCC)N1C(=O)OCC
InChIInChI=1S/C13H20N2O4/c1-4-8-11-9-7-10-14(12(16)18-5-2)15(11)13(17)19-6-3/h4,7,9,11H,1,5-6,8,10H2,2-3H3/t11-/m1/s1
InChIKeyYUIGVSAZDGZIKZ-LLVKDONJSA-N
MW268.31 g/mol
LogP2.33
Rot. Bonds4

About diethyl (3R)-3-prop-2-enyl-3,6-dihydropyridazine-1,2-dicarboxylate

diethyl (3R)-3-prop-2-enyl-3,6-dihydropyridazine-1,2-dicarboxylate (PubChem CID 12000218) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is diethyl (3R)-3-prop-2-enyl-3,6-dihydropyridazine-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl (3R)-3-prop-2-enyl-3,6-dihydropyridazine-1,2-dicarboxylate
PubChem CID12000218
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Namediethyl (3R)-3-prop-2-enyl-3,6-dihydropyridazine-1,2-dicarboxylate
SMILESC=CC[C@@H]1C=CCN(C(=O)OCC)N1C(=O)OCC
InChIInChI=1S/C13H20N2O4/c1-4-8-11-9-7-10-14(12(16)18-5-2)15(11)13(17)19-6-3/h4,7,9,11H,1,5-6,8,10H2,2-3H3/t11-/m1/s1
InChIKeyYUIGVSAZDGZIKZ-LLVKDONJSA-N
XLogP2.33
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethyl 3-(hydroxymethyl)-3,6-dihydropyridazine-1,2-dicarboxylate
CID 117061260
diethyl (5R,6R)-5-phenyl-6-prop-2-enyl-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 134866146
ethyl (1S,4R)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 11062780
diethyl (1S,2S,3R,4S,5R,6S)-3,4-dibromo-7,8-diazatricyclo[4.2.2.02,5]dec-9-ene-7,8-dicarboxylate
CID 124846420
ditert-butyl (3S)-3-methyl-3,6-dihydropyridazine-1,2-dicarboxylate
CID 102024686
4-hydroxy-1,2-bis(prop-2-enoxycarbonyl)pyrazolidine-3-carboxylic acid
CID 139760229
ethyl azetidine-1-carboxylate
CID 14088501
ethyl 2-(4-prop-2-enylcyclohexyl)acetate
CID 89472943
ethyl 6-[(E)-3-nitroprop-2-enyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 102012046
diethyl (1R,4S,7R,8S,9R,10R)-5,6-diazapentacyclo[6.4.0.02,10.03,7.04,9]dodec-11-ene-5,6-dicarboxylate
CID 98556608
3-O-ethyl 1-O-prop-2-enyl (6S)-4-hydroxy-6-methylpiperidine-1,3-dicarboxylate
CID 86592536
ethyl 3-ethyl-2-methyl-4-prop-2-enylcyclohex-2-ene-1-carboxylate
CID 177491564

Frequently Asked Questions

What is the IUPAC name of diethyl (3R)-3-prop-2-enyl-3,6-dihydropyridazine-1,2-dicarboxylate?
The IUPAC name of diethyl (3R)-3-prop-2-enyl-3,6-dihydropyridazine-1,2-dicarboxylate (CID 12000218) is diethyl (3R)-3-prop-2-enyl-3,6-dihydropyridazine-1,2-dicarboxylate.
What is the SMILES notation for diethyl (3R)-3-prop-2-enyl-3,6-dihydropyridazine-1,2-dicarboxylate?
The canonical SMILES for diethyl (3R)-3-prop-2-enyl-3,6-dihydropyridazine-1,2-dicarboxylate is C=CC[C@@H]1C=CCN(C(=O)OCC)N1C(=O)OCC.
What is the InChIKey of diethyl (3R)-3-prop-2-enyl-3,6-dihydropyridazine-1,2-dicarboxylate?
The InChIKey is YUIGVSAZDGZIKZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-4-8-11-9-7-10-14(12(16)18-5-2)15(11)13(17)19-6-3/h4,7,9,11H,1,5-6,8,10H2,2-3H3/t11-/m1/s1.
What are the key properties of diethyl (3R)-3-prop-2-enyl-3,6-dihydropyridazine-1,2-dicarboxylate?
diethyl (3R)-3-prop-2-enyl-3,6-dihydropyridazine-1,2-dicarboxylate has a molecular weight of 268.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (3R)-3-prop-2-enyl-3,6-dihydropyridazine-1,2-dicarboxylate is sourced from PubChem (CID 12000218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).