bis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate

C15H17NO4 — CID 86807799

IUPACbis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate
SMILESC=C(C)COC(=O)c1ccnc(C(=O)OCC(=C)C)c1
InChIInChI=1S/C15H17NO4/c1-10(2)8-19-14(17)12-5-6-16-13(7-12)15(18)20-9-11(3)4/h5-7H,1,3,8-9H2,2,4H3
InChIKeyAYUNJGKWKURZDS-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.55
Rot. Bonds6

About bis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate

bis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate (PubChem CID 86807799) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is bis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate.

Molecular Properties

Compound Namebis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate
PubChem CID86807799
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Namebis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate
SMILESC=C(C)COC(=O)c1ccnc(C(=O)OCC(=C)C)c1
InChIInChI=1S/C15H17NO4/c1-10(2)8-19-14(17)12-5-6-16-13(7-12)15(18)20-9-11(3)4/h5-7H,1,3,8-9H2,2,4H3
InChIKeyAYUNJGKWKURZDS-UHFFFAOYSA-N
XLogP2.55
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.55
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 bis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate?
The IUPAC name of bis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate (CID 86807799) is bis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate.
What is the SMILES notation for bis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate?
The canonical SMILES for bis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate is C=C(C)COC(=O)c1ccnc(C(=O)OCC(=C)C)c1.
What is the InChIKey of bis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate?
The InChIKey is AYUNJGKWKURZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-10(2)8-19-14(17)12-5-6-16-13(7-12)15(18)20-9-11(3)4/h5-7H,1,3,8-9H2,2,4H3.
What are the key properties of bis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate?
bis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate has a molecular weight of 275.30 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate is sourced from PubChem (CID 86807799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).