tert-butyl 5-ethenyl-2-methoxy-1,3-oxazolidine-3-carboxylate

C11H19NO4 — CID 10014045

IUPACtert-butyl 5-ethenyl-2-methoxy-1,3-oxazolidine-3-carboxylate
SMILESC=CC1CN(C(=O)OC(C)(C)C)C(OC)O1
InChIInChI=1S/C11H19NO4/c1-6-8-7-12(10(14-5)15-8)9(13)16-11(2,3)4/h6,8,10H,1,7H2,2-5H3
InChIKeyINDIQERWLKQWPY-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.74
Rot. Bonds2

About tert-butyl 5-ethenyl-2-methoxy-1,3-oxazolidine-3-carboxylate

tert-butyl 5-ethenyl-2-methoxy-1,3-oxazolidine-3-carboxylate (PubChem CID 10014045) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is tert-butyl 5-ethenyl-2-methoxy-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-ethenyl-2-methoxy-1,3-oxazolidine-3-carboxylate
PubChem CID10014045
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nametert-butyl 5-ethenyl-2-methoxy-1,3-oxazolidine-3-carboxylate
SMILESC=CC1CN(C(=O)OC(C)(C)C)C(OC)O1
InChIInChI=1S/C11H19NO4/c1-6-8-7-12(10(14-5)15-8)9(13)16-11(2,3)4/h6,8,10H,1,7H2,2-5H3
InChIKeyINDIQERWLKQWPY-UHFFFAOYSA-N
XLogP1.74
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Boc-5-vinyl-2-oxazolidinone
CID 21670461
tert-butyl N-[(2S,3S)-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate
CID 134860000
3-Methyl-5-vinyloxazolidin-2-one
CID 10351709
tert-butyl (4S)-4-[(1S)-1-(methoxymethoxy)prop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134835532
tert-butyl N-[(2S)-2-(methoxymethoxy)but-3-enyl]-N-prop-2-enylcarbamate
CID 16038155
(5S)-5-ethenyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 70066100
tert-butyl N-[2-(methoxymethoxy)but-3-enyl]-N-prop-2-enylcarbamate
CID 73223434
tert-butyl (4S)-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 121380685
but-3-en-2-yl N-(2,2-dimethoxyethyl)-N-ethylcarbamate
CID 175393012
tert-butyl (4R,5S)-5-ethenyl-2-methoxy-4-methyl-1,3-oxazolidine-3-carboxylate
CID 10014665
tert-butyl 5-[(E)-but-1-enyl]-2-methoxy-1,3-oxazolidine-3-carboxylate
CID 10377765
tert-butyl (4S,5S)-5-ethenyl-2-methoxy-4-methyl-1,3-oxazolidine-3-carboxylate
CID 10399527

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-ethenyl-2-methoxy-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 5-ethenyl-2-methoxy-1,3-oxazolidine-3-carboxylate (CID 10014045) is tert-butyl 5-ethenyl-2-methoxy-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 5-ethenyl-2-methoxy-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 5-ethenyl-2-methoxy-1,3-oxazolidine-3-carboxylate is C=CC1CN(C(=O)OC(C)(C)C)C(OC)O1.
What is the InChIKey of tert-butyl 5-ethenyl-2-methoxy-1,3-oxazolidine-3-carboxylate?
The InChIKey is INDIQERWLKQWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-6-8-7-12(10(14-5)15-8)9(13)16-11(2,3)4/h6,8,10H,1,7H2,2-5H3.
What are the key properties of tert-butyl 5-ethenyl-2-methoxy-1,3-oxazolidine-3-carboxylate?
tert-butyl 5-ethenyl-2-methoxy-1,3-oxazolidine-3-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-ethenyl-2-methoxy-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10014045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).