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

C12H19NO3 — CID 24795411

IUPACtert-butyl 5-ethenyl-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CC1=CC(O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H19NO3/c1-5-9-6-10(14)8-13(7-9)11(15)16-12(2,3)4/h5-6,10,14H,1,7-8H2,2-4H3
InChIKeyIKBSDPSTWWTSPA-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.71
Rot. Bonds1

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

tert-butyl 5-ethenyl-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 24795411) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is tert-butyl 5-ethenyl-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-ethenyl-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID24795411
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nametert-butyl 5-ethenyl-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CC1=CC(O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H19NO3/c1-5-9-6-10(14)8-13(7-9)11(15)16-12(2,3)4/h5-6,10,14H,1,7-8H2,2-4H3
InChIKeyIKBSDPSTWWTSPA-UHFFFAOYSA-N
XLogP1.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Hydroxy-1,2,3,6-tetrahydropyridine, N-BOC protected
CID 17750131
1,1-Dimethylethyl 3,6-dihydro-4-(hydroxymethyl)-1(2H)-pyridinecarboxylate
CID 22594484
tert-butyl (3S)-3-hydroxy-1,2,3,6-tetrahydropyridine-1-carboxylate
CID 11367638
Carbamic acid, N-(2-hydroxy-3-buten-1-yl)-N-2-propen-1-yl-, 1,1-dimethylethyl ester
CID 57751866
tert-butyl N-[2-(3,3-difluorocyclohexa-1,5-dien-1-yl)-2-hydroxyethyl]-N-methylcarbamate
CID 175882442
ethyl 3-hydroxy-3,6-dihydropyridine-1(2H)-carboxylate
CID 13042964
tert-butyl (2S,3R)-3-hydroxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 24854143
tert-butyl N-but-3-enyl-N-[(E)-4-hydroxybut-2-enyl]carbamate
CID 71489495
(1-Boc-1,2,5,6-tetrahydropyridin-3-YL)methanol
CID 22258851
tert-butyl (3R)-3-hydroxy-1,2,3,6-tetrahydropyridine-1-carboxylate
CID 26370393
ethyl (3S)-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58745516
methyl (3R)-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 60070784

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-ethenyl-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 5-ethenyl-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate (CID 24795411) is tert-butyl 5-ethenyl-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-ethenyl-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 5-ethenyl-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate is C=CC1=CC(O)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 5-ethenyl-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is IKBSDPSTWWTSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-5-9-6-10(14)8-13(7-9)11(15)16-12(2,3)4/h5-6,10,14H,1,7-8H2,2-4H3.
What are the key properties of tert-butyl 5-ethenyl-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 5-ethenyl-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-ethenyl-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 24795411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).