bis(prop-2-enyl) 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

C20H23NO5 — CID 2891790

IUPACbis(prop-2-enyl) 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESC=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(C)o1
InChIInChI=1S/C20H23NO5/c1-6-10-24-19(22)16-13(4)21-14(5)17(20(23)25-11-7-2)18(16)15-9-8-12(3)26-15/h6-9,18,21H,1-2,10-11H2,3-5H3
InChIKeyQPDNWAMUBHXSET-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.28
Rot. Bonds7

About bis(prop-2-enyl) 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

bis(prop-2-enyl) 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 2891790) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is bis(prop-2-enyl) 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namebis(prop-2-enyl) 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID2891790
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Namebis(prop-2-enyl) 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESC=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(C)o1
InChIInChI=1S/C20H23NO5/c1-6-10-24-19(22)16-13(4)21-14(5)17(20(23)25-11-7-2)18(16)15-9-8-12(3)26-15/h6-9,18,21H,1-2,10-11H2,3-5H3
InChIKeyQPDNWAMUBHXSET-UHFFFAOYSA-N
XLogP3.28
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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(prop-2-enyl) 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of bis(prop-2-enyl) 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate (CID 2891790) is bis(prop-2-enyl) 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for bis(prop-2-enyl) 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for bis(prop-2-enyl) 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate is C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(C)o1.
What is the InChIKey of bis(prop-2-enyl) 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is QPDNWAMUBHXSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-6-10-24-19(22)16-13(4)21-14(5)17(20(23)25-11-7-2)18(16)15-9-8-12(3)26-15/h6-9,18,21H,1-2,10-11H2,3-5H3.
What are the key properties of bis(prop-2-enyl) 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
bis(prop-2-enyl) 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 357.41 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 2891790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).