tert-butyl 6-oxo-2,3-dihydropyridine-1-carboxylate

C10H15NO3 — CID 66598173

IUPACtert-butyl 6-oxo-2,3-dihydropyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC=CC1=O
InChIInChI=1S/C10H15NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8(11)12/h4,6H,5,7H2,1-3H3
InChIKeyVOVJZEJLJABSJY-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.71
Rot. Bonds

About tert-butyl 6-oxo-2,3-dihydropyridine-1-carboxylate

tert-butyl 6-oxo-2,3-dihydropyridine-1-carboxylate (PubChem CID 66598173) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is tert-butyl 6-oxo-2,3-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-oxo-2,3-dihydropyridine-1-carboxylate
PubChem CID66598173
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nametert-butyl 6-oxo-2,3-dihydropyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC=CC1=O
InChIInChI=1S/C10H15NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8(11)12/h4,6H,5,7H2,1-3H3
InChIKeyVOVJZEJLJABSJY-UHFFFAOYSA-N
XLogP1.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Prop-2-enoyl-2,3-dihydropyridin-6-one
CID 72205202
Tert-butyl 3-oxo-1,2,3,6-tetrahydropyridine-1-carboxylate
CID 11052578
tert-Butyl 2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 11435337
1-[(E)-but-2-enoyl]-2,3-dihydropyridin-6-one
CID 137631456
tert-butyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 10845591
tert-Butyl 3,6-dihydropyridine-1(2H)-carboxylate
CID 13094787
Tert-butyl 5-fluoro-6-oxo-2,3-dihydropyridine-1-carboxylate
CID 149929565
tert-butyl N-but-3-enyl-N-(2-fluoroprop-2-enoyl)carbamate
CID 152449637
5,5-Dimethyl-3-pent-2-enoyl-1,3-oxazolidin-2-one
CID 90995535
tert-butyl (2S)-6-oxo-2-prop-2-enyl-2,5-dihydropyridine-1-carboxylate
CID 101486512
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-oxo-2,3-dihydropyridine-1-carboxylate?
The IUPAC name of tert-butyl 6-oxo-2,3-dihydropyridine-1-carboxylate (CID 66598173) is tert-butyl 6-oxo-2,3-dihydropyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 6-oxo-2,3-dihydropyridine-1-carboxylate?
The canonical SMILES for tert-butyl 6-oxo-2,3-dihydropyridine-1-carboxylate is CC(C)(C)OC(=O)N1CCC=CC1=O.
What is the InChIKey of tert-butyl 6-oxo-2,3-dihydropyridine-1-carboxylate?
The InChIKey is VOVJZEJLJABSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8(11)12/h4,6H,5,7H2,1-3H3.
What are the key properties of tert-butyl 6-oxo-2,3-dihydropyridine-1-carboxylate?
tert-butyl 6-oxo-2,3-dihydropyridine-1-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-oxo-2,3-dihydropyridine-1-carboxylate is sourced from PubChem (CID 66598173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).