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

C15H23NO3 — CID 166448087

IUPACtert-butyl (2R)-6-oxo-2-[(E)-pent-1-enyl]-2,3-dihydropyridine-1-carboxylate
SMILESCCC/C=C/[C@H]1CC=CC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO3/c1-5-6-7-9-12-10-8-11-13(17)16(12)14(18)19-15(2,3)4/h7-9,11-12H,5-6,10H2,1-4H3/b9-7+/t12-/m0/s1
InChIKeyZUHQANWTKBNGQW-CRALRDPISA-N
MW265.35 g/mol
LogP3.43
Rot. Bonds3

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

tert-butyl (2R)-6-oxo-2-[(E)-pent-1-enyl]-2,3-dihydropyridine-1-carboxylate (PubChem CID 166448087) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl (2R)-6-oxo-2-[(E)-pent-1-enyl]-2,3-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-6-oxo-2-[(E)-pent-1-enyl]-2,3-dihydropyridine-1-carboxylate
PubChem CID166448087
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl (2R)-6-oxo-2-[(E)-pent-1-enyl]-2,3-dihydropyridine-1-carboxylate
SMILESCCC/C=C/[C@H]1CC=CC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO3/c1-5-6-7-9-12-10-8-11-13(17)16(12)14(18)19-15(2,3)4/h7-9,11-12H,5-6,10H2,1-4H3/b9-7+/t12-/m0/s1
InChIKeyZUHQANWTKBNGQW-CRALRDPISA-N
XLogP3.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 11052578
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CID 66598173
tert-butyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate
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tert-butyl (2S)-5-oxo-2-propan-2-yl-3-tributylstannyl-2H-pyrrole-1-carboxylate
CID 15364310
Tert-butyl 10-azabicyclo[4.3.1]deca-3,7-diene-10-carboxylate
CID 72990834
Tert-butyl 5-fluoro-6-oxo-2,3-dihydropyridine-1-carboxylate
CID 149929565
t-Butyl (s)-2-isobutyl-5-oxo-2,5-dihydro-1h-pyrrole-1-carboxylate
CID 44472079
tert-butyl 2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 72996213
tert-butyl (2S)-6-oxo-2-prop-2-enyl-2,5-dihydropyridine-1-carboxylate
CID 101486512
tert-butyl N-buta-2,3-dienyl-N-(1-methyl-4-oxocyclohexa-2,5-dien-1-yl)carbamate
CID 135072281
tert-butyl N-but-3-enoyl-N-[(3S)-hexa-1,5-dien-3-yl]carbamate
CID 135077755
tert-butyl (2R)-2-[(E)-3,3-dimethylbut-1-enyl]-6-oxo-2,3-dihydropyridine-1-carboxylate
CID 146168140

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-6-oxo-2-[(E)-pent-1-enyl]-2,3-dihydropyridine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-6-oxo-2-[(E)-pent-1-enyl]-2,3-dihydropyridine-1-carboxylate (CID 166448087) is tert-butyl (2R)-6-oxo-2-[(E)-pent-1-enyl]-2,3-dihydropyridine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-6-oxo-2-[(E)-pent-1-enyl]-2,3-dihydropyridine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-6-oxo-2-[(E)-pent-1-enyl]-2,3-dihydropyridine-1-carboxylate is CCC/C=C/[C@H]1CC=CC(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-6-oxo-2-[(E)-pent-1-enyl]-2,3-dihydropyridine-1-carboxylate?
The InChIKey is ZUHQANWTKBNGQW-CRALRDPISA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-6-7-9-12-10-8-11-13(17)16(12)14(18)19-15(2,3)4/h7-9,11-12H,5-6,10H2,1-4H3/b9-7+/t12-/m0/s1.
What are the key properties of tert-butyl (2R)-6-oxo-2-[(E)-pent-1-enyl]-2,3-dihydropyridine-1-carboxylate?
tert-butyl (2R)-6-oxo-2-[(E)-pent-1-enyl]-2,3-dihydropyridine-1-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 3.43, 3 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)-pent-1-enyl]-2,3-dihydropyridine-1-carboxylate is sourced from PubChem (CID 166448087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).