propan-2-yl 6-methyl-2-oxo-4-phenyl-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate

C19H23NO3 — CID 42854793

IUPACpropan-2-yl 6-methyl-2-oxo-4-phenyl-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate
SMILESC=CCN1C(=O)CC(c2ccccc2)C(C(=O)OC(C)C)=C1C
InChIInChI=1S/C19H23NO3/c1-5-11-20-14(4)18(19(22)23-13(2)3)16(12-17(20)21)15-9-7-6-8-10-15/h5-10,13,16H,1,11-12H2,2-4H3
InChIKeyCJJPSZIRHNNMFF-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.41
Rot. Bonds5

About propan-2-yl 6-methyl-2-oxo-4-phenyl-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate

propan-2-yl 6-methyl-2-oxo-4-phenyl-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate (PubChem CID 42854793) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is propan-2-yl 6-methyl-2-oxo-4-phenyl-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-methyl-2-oxo-4-phenyl-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate
PubChem CID42854793
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Namepropan-2-yl 6-methyl-2-oxo-4-phenyl-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate
SMILESC=CCN1C(=O)CC(c2ccccc2)C(C(=O)OC(C)C)=C1C
InChIInChI=1S/C19H23NO3/c1-5-11-20-14(4)18(19(22)23-13(2)3)16(12-17(20)21)15-9-7-6-8-10-15/h5-10,13,16H,1,11-12H2,2-4H3
InChIKeyCJJPSZIRHNNMFF-UHFFFAOYSA-N
XLogP3.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 propan-2-yl 6-methyl-2-oxo-4-phenyl-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of propan-2-yl 6-methyl-2-oxo-4-phenyl-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate (CID 42854793) is propan-2-yl 6-methyl-2-oxo-4-phenyl-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for propan-2-yl 6-methyl-2-oxo-4-phenyl-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for propan-2-yl 6-methyl-2-oxo-4-phenyl-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate is C=CCN1C(=O)CC(c2ccccc2)C(C(=O)OC(C)C)=C1C.
What is the InChIKey of propan-2-yl 6-methyl-2-oxo-4-phenyl-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate?
The InChIKey is CJJPSZIRHNNMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-5-11-20-14(4)18(19(22)23-13(2)3)16(12-17(20)21)15-9-7-6-8-10-15/h5-10,13,16H,1,11-12H2,2-4H3.
What are the key properties of propan-2-yl 6-methyl-2-oxo-4-phenyl-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate?
propan-2-yl 6-methyl-2-oxo-4-phenyl-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate has a molecular weight of 313.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-methyl-2-oxo-4-phenyl-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 42854793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).