tert-butyl (2S)-5-methylidene-6-oxo-3-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate

C19H24N2O3 — CID 11472924

IUPACtert-butyl (2S)-5-methylidene-6-oxo-3-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate
SMILESC=C1N=C(c2ccccc2)[C@H](C(C)C)N(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C19H24N2O3/c1-12(2)16-15(14-10-8-7-9-11-14)20-13(3)17(22)21(16)18(23)24-19(4,5)6/h7-12,16H,3H2,1-2,4-6H3/t16-/m0/s1
InChIKeyIVMJFFCPHDDLAJ-INIZCTEOSA-N
MW328.41 g/mol
LogP3.79
Rot. Bonds2

About tert-butyl (2S)-5-methylidene-6-oxo-3-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate

tert-butyl (2S)-5-methylidene-6-oxo-3-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate (PubChem CID 11472924) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is tert-butyl (2S)-5-methylidene-6-oxo-3-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-5-methylidene-6-oxo-3-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate
PubChem CID11472924
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nametert-butyl (2S)-5-methylidene-6-oxo-3-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate
SMILESC=C1N=C(c2ccccc2)[C@H](C(C)C)N(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C19H24N2O3/c1-12(2)16-15(14-10-8-7-9-11-14)20-13(3)17(22)21(16)18(23)24-19(4,5)6/h7-12,16H,3H2,1-2,4-6H3/t16-/m0/s1
InChIKeyIVMJFFCPHDDLAJ-INIZCTEOSA-N
XLogP3.79
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze tert-butyl (2S)-5-methylidene-6-oxo-3-phenyl-2-propan-2-yl-2H-pyrazine-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

tert-butyl (2S,5Z)-5-benzylidene-6-oxo-3-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate
CID 101025937
tert-butyl (2R)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-2,5-dihydropyrazine-1-carboxylate
CID 102241004
tert-butyl (2S)-5-(2,2-dimethylpropyl)-6-oxo-3-phenyl-2-propan-2-yl-2,5-dihydropyrazine-1-carboxylate
CID 101112857
tert-butyl (2R,5S)-5-(3-methoxy-3-oxopropyl)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate
CID 10949759
tert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 21299736
tert-butyl (4S)-2-oxo-4-phenylazetidine-1-carboxylate
CID 42598467
ditert-butyl 3,6-dioxo-1,4-diphenylpyrrolo[3,4-c]pyrrole-2,5-dicarboxylate
CID 139206037
tert-butyl (3S)-3-acetyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 67735629
tert-butyl (2S)-2,4,5-triphenyl-2,3-dihydropyrrole-1-carboxylate
CID 102080261
tert-butyl (4S,5R)-2-methyl-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate
CID 86596335
tert-butyl 3-amino-2-oxo-5-phenyl-3H-1,4-benzodiazepine-1-carboxylate
CID 67658000
1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 70974571

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-5-methylidene-6-oxo-3-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-5-methylidene-6-oxo-3-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate (CID 11472924) is tert-butyl (2S)-5-methylidene-6-oxo-3-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-5-methylidene-6-oxo-3-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-5-methylidene-6-oxo-3-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate is C=C1N=C(c2ccccc2)[C@H](C(C)C)N(C(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl (2S)-5-methylidene-6-oxo-3-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate?
The InChIKey is IVMJFFCPHDDLAJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12(2)16-15(14-10-8-7-9-11-14)20-13(3)17(22)21(16)18(23)24-19(4,5)6/h7-12,16H,3H2,1-2,4-6H3/t16-/m0/s1.
What are the key properties of tert-butyl (2S)-5-methylidene-6-oxo-3-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate?
tert-butyl (2S)-5-methylidene-6-oxo-3-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-5-methylidene-6-oxo-3-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate is sourced from PubChem (CID 11472924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).