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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Launch Full Analysis

Related Compounds

propan-2-yl 1-[(2-cyanophenyl)methyl]-6-methyl-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate
CID 42854297
propan-2-yl 1-benzyl-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate
CID 46049386
propan-2-yl 6-methyl-1-[(2-methylphenyl)methyl]-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate
CID 46049390
propan-2-yl 4-(3-fluorophenyl)-1-[(2-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854819
propan-2-yl 4-(4-tert-butylphenyl)-1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854790
propan-2-yl (4R)-1-[(4-bromophenyl)methyl]-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 93291403
propan-2-yl 1-[(3,5-difluorophenyl)methyl]-6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 46049256
propan-2-yl 4-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854773
prop-2-enyl 1-[(2,6-difluorophenyl)methyl]-6-methyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydropyridine-5-carboxylate
CID 42854723
benzyl 4-(2,4-difluorophenyl)-6-methyl-2-oxo-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate
CID 42854576
propan-2-yl 1-[(3,4-difluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854789
propan-2-yl (4S)-4-(2-chlorophenyl)-1-[(2,6-difluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 93332089

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).