tert-butyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate

C12H19NO2 — CID 101443883

IUPACtert-butyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CC1=CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H19NO2/c1-5-10-7-6-8-13(9-10)11(14)15-12(2,3)4/h5,7H,1,6,8-9H2,2-4H3
InChIKeyYIMFQIUPOJPTQU-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.74
Rot. Bonds1

About tert-butyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 101443883) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is tert-butyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID101443883
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Nametert-butyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CC1=CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H19NO2/c1-5-10-7-6-8-13(9-10)11(14)15-12(2,3)4/h5,7H,1,6,8-9H2,2-4H3
InChIKeyYIMFQIUPOJPTQU-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 12969195
tert-Butyl 4-methyl-5,6-dihydropyridine-1(2H)-carboxylate
CID 22961112
Tert-butyl 4-(aminomethyl)-1,2,3,6-tetrahydropyridine-1-carboxylate
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tert-butyl 4-iodo-3,6-dihydro-2H-pyridine-1-carboxylate
CID 71129532
Tert-butyl 5-bromo-1,2,3,6-tetrahydropyridine-1-carboxylate
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tert-Butyl 3,6-dihydropyridine-1(2H)-carboxylate
CID 13094787
Tert-butyl 3-bromo-1,2,3,6-tetrahydropyridine-1-carboxylate
CID 130114949
tert-butyl 2,2-dimethyl-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 137943158
tert-Butyl 4-(tributylstannyl)-3,6-dihydropyridine-1(2H)-carboxylate
CID 12094207
tert-butyl N-but-3-enyl-N-prop-2-enylcarbamate
CID 45140672
Tert-butyl 3-methylidene-2,6-dihydropyridine-1-carboxylate
CID 68076879
tert-Butyl 3-methyl-5,6-dihydropyridine-1(2H)-carboxylate
CID 68306290

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 101443883) is tert-butyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate is C=CC1=CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is YIMFQIUPOJPTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-5-10-7-6-8-13(9-10)11(14)15-12(2,3)4/h5,7H,1,6,8-9H2,2-4H3.
What are the key properties of tert-butyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 209.29 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 101443883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).