tert-butyl 5-prop-1-en-2-ylpyridine-2-carboxylate

C13H17NO2 — CID 156787267

IUPACtert-butyl 5-prop-1-en-2-ylpyridine-2-carboxylate
SMILESC=C(C)c1ccc(C(=O)OC(C)(C)C)nc1
InChIInChI=1S/C13H17NO2/c1-9(2)10-6-7-11(14-8-10)12(15)16-13(3,4)5/h6-8H,1H2,2-5H3
InChIKeyYRSDVQLFAWYKKL-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.07
Rot. Bonds2

About tert-butyl 5-prop-1-en-2-ylpyridine-2-carboxylate

tert-butyl 5-prop-1-en-2-ylpyridine-2-carboxylate (PubChem CID 156787267) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is tert-butyl 5-prop-1-en-2-ylpyridine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-prop-1-en-2-ylpyridine-2-carboxylate
PubChem CID156787267
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nametert-butyl 5-prop-1-en-2-ylpyridine-2-carboxylate
SMILESC=C(C)c1ccc(C(=O)OC(C)(C)C)nc1
InChIInChI=1S/C13H17NO2/c1-9(2)10-6-7-11(14-8-10)12(15)16-13(3,4)5/h6-8H,1H2,2-5H3
InChIKeyYRSDVQLFAWYKKL-UHFFFAOYSA-N
XLogP3.07
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-prop-1-en-2-yl-2-pyridinyl)ethanone
CID 45086200
tert-butyl 5-propan-2-ylpyridine-2-carboxylate
CID 133061148
tert-butyl 6-fluoropyridine-3-carboxylate
CID 66756622
6-prop-1-en-2-ylpyridine-3-carboxamide
CID 123173194
tert-butyl 5-(2-ethoxycarbonylpent-1-en-3-yl)pyridine-2-carboxylate
CID 57219680
tert-butyl 5-(2,4-dimethylphenyl)pyridine-2-carboxylate
CID 170161835
tert-butyl 2-(4-prop-1-en-2-ylphenoxy)acetate
CID 21185662
ditert-butyl benzene-1,4-dicarboxylate;hydrazine
CID 70440346
methyl 6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyridine-3-carboxylate
CID 21064712
6-acetylpyridine-3-carboxylic acid
CID 22323784
tert-butyl 6-(aminomethyl)pyridine-3-carboxylate;2,2,2-trifluoroacetic acid
CID 139026838
tert-butyl 6-bromoisoquinoline-3-carboxylate
CID 133059720

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-prop-1-en-2-ylpyridine-2-carboxylate?
The IUPAC name of tert-butyl 5-prop-1-en-2-ylpyridine-2-carboxylate (CID 156787267) is tert-butyl 5-prop-1-en-2-ylpyridine-2-carboxylate.
What is the SMILES notation for tert-butyl 5-prop-1-en-2-ylpyridine-2-carboxylate?
The canonical SMILES for tert-butyl 5-prop-1-en-2-ylpyridine-2-carboxylate is C=C(C)c1ccc(C(=O)OC(C)(C)C)nc1.
What is the InChIKey of tert-butyl 5-prop-1-en-2-ylpyridine-2-carboxylate?
The InChIKey is YRSDVQLFAWYKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(2)10-6-7-11(14-8-10)12(15)16-13(3,4)5/h6-8H,1H2,2-5H3.
What are the key properties of tert-butyl 5-prop-1-en-2-ylpyridine-2-carboxylate?
tert-butyl 5-prop-1-en-2-ylpyridine-2-carboxylate has a molecular weight of 219.28 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-prop-1-en-2-ylpyridine-2-carboxylate is sourced from PubChem (CID 156787267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).