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

C19H21NO5 — CID 7098565

IUPACbis(prop-2-enyl) (4S)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
SMILESC=CCOC(=O)C1=C(C)N=C(C)C(C(=O)OCC=C)[C@@H]1c1ccco1
InChIInChI=1S/C19H21NO5/c1-5-9-24-18(21)15-12(3)20-13(4)16(19(22)25-10-6-2)17(15)14-8-7-11-23-14/h5-8,11,15,17H,1-2,9-10H2,3-4H3/t15?,17-/m0/s1
InChIKeyVMAISNGJFGRXMH-LWKPJOBUSA-N
MW343.38 g/mol
LogP3.19
Rot. Bonds7

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

bis(prop-2-enyl) (4S)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 7098565) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is bis(prop-2-enyl) (4S)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namebis(prop-2-enyl) (4S)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
PubChem CID7098565
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Namebis(prop-2-enyl) (4S)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
SMILESC=CCOC(=O)C1=C(C)N=C(C)C(C(=O)OCC=C)[C@@H]1c1ccco1
InChIInChI=1S/C19H21NO5/c1-5-9-24-18(21)15-12(3)20-13(4)16(19(22)25-10-6-2)17(15)14-8-7-11-23-14/h5-8,11,15,17H,1-2,9-10H2,3-4H3/t15?,17-/m0/s1
InChIKeyVMAISNGJFGRXMH-LWKPJOBUSA-N
XLogP3.19
TPSA78.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
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) (4S)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of bis(prop-2-enyl) (4S)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate (CID 7098565) is bis(prop-2-enyl) (4S)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for bis(prop-2-enyl) (4S)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for bis(prop-2-enyl) (4S)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate is C=CCOC(=O)C1=C(C)N=C(C)C(C(=O)OCC=C)[C@@H]1c1ccco1.
What is the InChIKey of bis(prop-2-enyl) (4S)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is VMAISNGJFGRXMH-LWKPJOBUSA-N. The full InChI is InChI=1S/C19H21NO5/c1-5-9-24-18(21)15-12(3)20-13(4)16(19(22)25-10-6-2)17(15)14-8-7-11-23-14/h5-8,11,15,17H,1-2,9-10H2,3-4H3/t15?,17-/m0/s1.
What are the key properties of bis(prop-2-enyl) (4S)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate?
bis(prop-2-enyl) (4S)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 343.38 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) (4S)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 7098565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).