tert-butyl 2,6-bis(ethenyl)-4H-pyridine-1-carboxylate

C14H19NO2 — CID 86054918

IUPACtert-butyl 2,6-bis(ethenyl)-4H-pyridine-1-carboxylate
SMILESC=CC1=CCC=C(C=C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H19NO2/c1-6-11-9-8-10-12(7-2)15(11)13(16)17-14(3,4)5/h6-7,9-10H,1-2,8H2,3-5H3
InChIKeyOYBORQCUKMUROG-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.77
Rot. Bonds2

About tert-butyl 2,6-bis(ethenyl)-4H-pyridine-1-carboxylate

tert-butyl 2,6-bis(ethenyl)-4H-pyridine-1-carboxylate (PubChem CID 86054918) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is tert-butyl 2,6-bis(ethenyl)-4H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,6-bis(ethenyl)-4H-pyridine-1-carboxylate
PubChem CID86054918
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nametert-butyl 2,6-bis(ethenyl)-4H-pyridine-1-carboxylate
SMILESC=CC1=CCC=C(C=C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H19NO2/c1-6-11-9-8-10-12(7-2)15(11)13(16)17-14(3,4)5/h6-7,9-10H,1-2,8H2,3-5H3
InChIKeyOYBORQCUKMUROG-UHFFFAOYSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl 2,6-bis(ethenyl)-4H-pyridine-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 2,6-diphenyl-4H-pyridine-1-carboxylate
CID 11858652
tert-butyl 4,5-bis(ethenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 162757444
ditert-butyl 6-methylidene-1,4-diazepane-1,4-dicarboxylate
CID 71305475
tert-butyl 3-methylideneazetidine-1-carboxylate
CID 55269097
ditert-butyl 7-ethenyl-2-methylidene-3,4-dihydro-1,3,5-benzotriazepine-1,5-dicarboxylate
CID 146175003
tert-butyl 4-(4-ethenyl-3-methylphenyl)piperazine-1-carboxylate
CID 144819263
tert-butyl 3,5-dioxo-4,4-bis(prop-2-enyl)piperidine-1-carboxylate
CID 171548647
tert-butyl 2,5-dihydropyrrole-1-carboxylate;ethane
CID 143412058
ditert-butyl 2-(hydroxymethyl)-2-prop-2-enylpiperazine-1,4-dicarboxylate
CID 118358736
tert-butyl 4-[2-ethenyl-3-(methylamino)phenyl]piperazine-1-carboxylate
CID 142109565
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl 3,5-dibromo-1,4-oxazine-4-carboxylate
CID 172993655

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,6-bis(ethenyl)-4H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 2,6-bis(ethenyl)-4H-pyridine-1-carboxylate (CID 86054918) is tert-butyl 2,6-bis(ethenyl)-4H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 2,6-bis(ethenyl)-4H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 2,6-bis(ethenyl)-4H-pyridine-1-carboxylate is C=CC1=CCC=C(C=C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2,6-bis(ethenyl)-4H-pyridine-1-carboxylate?
The InChIKey is OYBORQCUKMUROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-6-11-9-8-10-12(7-2)15(11)13(16)17-14(3,4)5/h6-7,9-10H,1-2,8H2,3-5H3.
What are the key properties of tert-butyl 2,6-bis(ethenyl)-4H-pyridine-1-carboxylate?
tert-butyl 2,6-bis(ethenyl)-4H-pyridine-1-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,6-bis(ethenyl)-4H-pyridine-1-carboxylate is sourced from PubChem (CID 86054918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).