tert-butyl 2-methyl-5-oxo-2,6-dihydropyridine-1-carboxylate

C11H17NO3 — CID 129308969

IUPACtert-butyl 2-methyl-5-oxo-2,6-dihydropyridine-1-carboxylate
SMILESCC1C=CC(=O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H17NO3/c1-8-5-6-9(13)7-12(8)10(14)15-11(2,3)4/h5-6,8H,7H2,1-4H3
InChIKeyLXSOYJDMIRKEDY-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.75
Rot. Bonds

About tert-butyl 2-methyl-5-oxo-2,6-dihydropyridine-1-carboxylate

tert-butyl 2-methyl-5-oxo-2,6-dihydropyridine-1-carboxylate (PubChem CID 129308969) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is tert-butyl 2-methyl-5-oxo-2,6-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-5-oxo-2,6-dihydropyridine-1-carboxylate
PubChem CID129308969
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nametert-butyl 2-methyl-5-oxo-2,6-dihydropyridine-1-carboxylate
SMILESCC1C=CC(=O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H17NO3/c1-8-5-6-9(13)7-12(8)10(14)15-11(2,3)4/h5-6,8H,7H2,1-4H3
InChIKeyLXSOYJDMIRKEDY-UHFFFAOYSA-N
XLogP1.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-methyl-5-oxo-2,6-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

Tert-butyl 3-oxo-1,2,3,6-tetrahydropyridine-1-carboxylate
CID 11052578
Tert-butyl 6-oxo-1,2,3,6-tetrahydropyridine-1-carboxylate
CID 66598173
tert-butyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 10845591
Ethyl 3-oxo-3,6-dihydropyridine-1(2H)-carboxylate
CID 12414169
Tert-butyl 3-(tert-butyl)-5-oxo-5,6-dihydropyridine-1(2H)-carboxylate
CID 71269682
Tert-butyl 3-methyl-5-oxo-2,6-dihydropyridine-1-carboxylate
CID 132264904
ethyl 6,6-dimethyl-3-oxo-2H-pyridine-1-carboxylate
CID 10899581
tert-butyl N-buta-2,3-dienyl-N-(1-methyl-4-oxocyclohexa-2,5-dien-1-yl)carbamate
CID 135072281
tert-butyl (2R)-2-[(E)-3,3-dimethylbut-1-enyl]-6-oxo-2,3-dihydropyridine-1-carboxylate
CID 146168140
tert-butyl (2R)-6-oxo-2-[(E)-pent-1-enyl]-2,3-dihydropyridine-1-carboxylate
CID 166448087
5-Fluoro-3-oxo-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
CID 155921073
tert-butyl N-methyl-N-[(E)-2-oxopent-3-enyl]carbamate
CID 15307585

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-5-oxo-2,6-dihydropyridine-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-5-oxo-2,6-dihydropyridine-1-carboxylate (CID 129308969) is tert-butyl 2-methyl-5-oxo-2,6-dihydropyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-5-oxo-2,6-dihydropyridine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-5-oxo-2,6-dihydropyridine-1-carboxylate is CC1C=CC(=O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-5-oxo-2,6-dihydropyridine-1-carboxylate?
The InChIKey is LXSOYJDMIRKEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-8-5-6-9(13)7-12(8)10(14)15-11(2,3)4/h5-6,8H,7H2,1-4H3.
What are the key properties of tert-butyl 2-methyl-5-oxo-2,6-dihydropyridine-1-carboxylate?
tert-butyl 2-methyl-5-oxo-2,6-dihydropyridine-1-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-5-oxo-2,6-dihydropyridine-1-carboxylate is sourced from PubChem (CID 129308969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).