tert-butyl 2-butyl-4-oxo-2,3-dihydropyridine-1-carboxylate

C14H23NO3 — CID 42645668

IUPACtert-butyl 2-butyl-4-oxo-2,3-dihydropyridine-1-carboxylate
SMILESCCCCC1CC(=O)C=CN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO3/c1-5-6-7-11-10-12(16)8-9-15(11)13(17)18-14(2,3)4/h8-9,11H,5-7,10H2,1-4H3
InChIKeyCNMJWGWNDLSUOI-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.27
Rot. Bonds3

About tert-butyl 2-butyl-4-oxo-2,3-dihydropyridine-1-carboxylate

tert-butyl 2-butyl-4-oxo-2,3-dihydropyridine-1-carboxylate (PubChem CID 42645668) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is tert-butyl 2-butyl-4-oxo-2,3-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-butyl-4-oxo-2,3-dihydropyridine-1-carboxylate
PubChem CID42645668
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nametert-butyl 2-butyl-4-oxo-2,3-dihydropyridine-1-carboxylate
SMILESCCCCC1CC(=O)C=CN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO3/c1-5-6-7-11-10-12(16)8-9-15(11)13(17)18-14(2,3)4/h8-9,11H,5-7,10H2,1-4H3
InChIKeyCNMJWGWNDLSUOI-UHFFFAOYSA-N
XLogP3.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-oxo-3,4-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
CID 42645670
Tert-butyl 2-ethenyl-4-oxo-2,3-dihydropyridine-1-carboxylate
CID 68939682
tert-butyl (2R)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate
CID 42645671
tert-butyl (2R)-2-(2-oxopent-4-enyl)piperidine-1-carboxylate
CID 54753813
ethyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate
CID 162419725
methyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate
CID 166446133
Tert-butyl 4-oxo-2-prop-2-enyl-2,3-dihydropyridine-1-carboxylate
CID 11368382
methyl 2-[(E)-hex-4-enyl]-4-oxo-2,3-dihydropyridine-1-carboxylate
CID 21348538
Methyl 4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate
CID 21348544
N-Boc-2-methyl-2,3-dihydro-4-pyridone
CID 42645907
Propan-2-yl 2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate
CID 57963414
2-Isopropyl-4-oxo-3,4-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
CID 57963529

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-butyl-4-oxo-2,3-dihydropyridine-1-carboxylate?
The IUPAC name of tert-butyl 2-butyl-4-oxo-2,3-dihydropyridine-1-carboxylate (CID 42645668) is tert-butyl 2-butyl-4-oxo-2,3-dihydropyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-butyl-4-oxo-2,3-dihydropyridine-1-carboxylate?
The canonical SMILES for tert-butyl 2-butyl-4-oxo-2,3-dihydropyridine-1-carboxylate is CCCCC1CC(=O)C=CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-butyl-4-oxo-2,3-dihydropyridine-1-carboxylate?
The InChIKey is CNMJWGWNDLSUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-6-7-11-10-12(16)8-9-15(11)13(17)18-14(2,3)4/h8-9,11H,5-7,10H2,1-4H3.
What are the key properties of tert-butyl 2-butyl-4-oxo-2,3-dihydropyridine-1-carboxylate?
tert-butyl 2-butyl-4-oxo-2,3-dihydropyridine-1-carboxylate has a molecular weight of 253.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-butyl-4-oxo-2,3-dihydropyridine-1-carboxylate is sourced from PubChem (CID 42645668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).