tert-butyl (2R)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate

C18H21NO3 — CID 146168111

IUPACtert-butyl (2R)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C=CC[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C18H21NO3/c1-18(2,3)22-17(21)19-15(10-7-11-16(19)20)13-12-14-8-5-4-6-9-14/h4-9,11-13,15H,10H2,1-3H3/b13-12+/t15-/m1/s1
InChIKeyHMFXDCHRQPCQMR-RDRICISKSA-N
MW299.37 g/mol
LogP3.79
Rot. Bonds2

About tert-butyl (2R)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate

tert-butyl (2R)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate (PubChem CID 146168111) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is tert-butyl (2R)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate
PubChem CID146168111
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Nametert-butyl (2R)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C=CC[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C18H21NO3/c1-18(2,3)22-17(21)19-15(10-7-11-16(19)20)13-12-14-8-5-4-6-9-14/h4-9,11-13,15H,10H2,1-3H3/b13-12+/t15-/m1/s1
InChIKeyHMFXDCHRQPCQMR-RDRICISKSA-N
XLogP3.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2R)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(3,4-dihydroxyphenyl)propanoyl]-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-6-one
CID 118717705
tert-butyl (2S)-2-(2-phenylethenyl)piperazine-1-carboxylate
CID 174681084
tert-butyl (3R,4R)-3-(bromomethyl)-4-(2-phenylethenyl)pyrrolidine-1-carboxylate
CID 57372199
tert-butyl (4S)-2-oxo-4-phenylazetidine-1-carboxylate
CID 42598467
tert-butyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[(E)-2-phenylethenyl]azetidine-1-carboxylate
CID 53254258
tert-butyl 2-[hydroxy(diphenyl)methyl]-5-oxo-2H-pyrrole-1-carboxylate
CID 139246468
tert-butyl (3R,4S)-3-(1-ethoxyethoxy)-2-oxo-4-[(E)-2-phenylethenyl]azetidine-1-carboxylate
CID 70177342
tert-butyl (2R)-2-(1,3-benzodioxol-5-yl)-6-oxo-2,3-dihydropyridine-1-carboxylate
CID 166448088
3-(1-methyl-6-oxo-2,3-dihydropyridin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]indole-2-carboxylic acid
CID 135011935
tert-butyl (2S,4R,6R)-2-[(E)-2-phenylethenyl]-4,6-bis(phenylmethoxycarbonylamino)piperidine-1-carboxylate
CID 23629425
tert-butyl 2-[2-(3-chlorophenyl)ethenyl]pyrrolidine-1-carboxylate
CID 76800293
1-tert-butyl-6-(2-phenylethenyl)piperidine-2,4-dione
CID 3449005

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate (CID 146168111) is tert-butyl (2R)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)C=CC[C@@H]1/C=C/c1ccccc1.
What is the InChIKey of tert-butyl (2R)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate?
The InChIKey is HMFXDCHRQPCQMR-RDRICISKSA-N. The full InChI is InChI=1S/C18H21NO3/c1-18(2,3)22-17(21)19-15(10-7-11-16(19)20)13-12-14-8-5-4-6-9-14/h4-9,11-13,15H,10H2,1-3H3/b13-12+/t15-/m1/s1.
What are the key properties of tert-butyl (2R)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate?
tert-butyl (2R)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate is sourced from PubChem (CID 146168111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).