tert-butyl 2-prop-2-enyl-1,3-oxazolidine-3-carboxylate

C11H19NO3 — CID 91345344

IUPACtert-butyl 2-prop-2-enyl-1,3-oxazolidine-3-carboxylate
SMILESC=CCC1OCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO3/c1-5-6-9-12(7-8-14-9)10(13)15-11(2,3)4/h5,9H,1,6-8H2,2-4H3
InChIKeyNENLUHPOLHURIV-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.16
Rot. Bonds2

About tert-butyl 2-prop-2-enyl-1,3-oxazolidine-3-carboxylate

tert-butyl 2-prop-2-enyl-1,3-oxazolidine-3-carboxylate (PubChem CID 91345344) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl 2-prop-2-enyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-prop-2-enyl-1,3-oxazolidine-3-carboxylate
PubChem CID91345344
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl 2-prop-2-enyl-1,3-oxazolidine-3-carboxylate
SMILESC=CCC1OCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO3/c1-5-6-9-12(7-8-14-9)10(13)15-11(2,3)4/h5,9H,1,6-8H2,2-4H3
InChIKeyNENLUHPOLHURIV-UHFFFAOYSA-N
XLogP2.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-2,2-Dimethyl-4-vinyloxazolidine-3-carboxylic acid tert-butyl ester
CID 10878894
tert-butyl (3S)-3-(prop-2-en-1-yloxy)pyrrolidine-1-carboxylate
CID 75480392
tert-butyl (4R)-2,2-dimethyl-4-[(E)-2-tributylstannylethenyl]-1,3-oxazolidine-3-carboxylate
CID 10697188
tert-butyl (4R)-4-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10807963
tert-butyl (4R)-2,2-dimethyl-4-[(E)-2-trimethylsilylethenyl]-1,3-oxazolidine-3-carboxylate
CID 11141095
Tert-butyl 2,2-dimethyl-4-vinyloxazolidine-3-carboxylate
CID 13905152
3-But-3-enyl-1,3-oxazolidin-2-one
CID 45087907
tert-butyl (4R)-2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine-3-carboxylate
CID 90196773
tert-Butyl-(4S)-4-(1-fluoroprop-2-en-1-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 57801768
Tert-butyl 3-fluoro-4-pent-4-enoxypyrrolidine-1-carboxylate
CID 172275791
tert-butyl (3R,4S)-3-fluoro-4-pent-4-enoxypyrrolidine-1-carboxylate
CID 172276096
tert-butyl (3S,4S)-3-fluoro-4-pent-4-enoxypyrrolidine-1-carboxylate
CID 172276199

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-prop-2-enyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 2-prop-2-enyl-1,3-oxazolidine-3-carboxylate (CID 91345344) is tert-butyl 2-prop-2-enyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 2-prop-2-enyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 2-prop-2-enyl-1,3-oxazolidine-3-carboxylate is C=CCC1OCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-prop-2-enyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is NENLUHPOLHURIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-5-6-9-12(7-8-14-9)10(13)15-11(2,3)4/h5,9H,1,6-8H2,2-4H3.
What are the key properties of tert-butyl 2-prop-2-enyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 2-prop-2-enyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-prop-2-enyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 91345344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).