tert-butyl 2-oxo-2'-prop-2-enoxyspiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate

C18H21NO6 — CID 102501815

IUPACtert-butyl 2-oxo-2'-prop-2-enoxyspiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate
SMILESC=CCOC1Oc2ccccc2C12COC(=O)N2C(=O)OC(C)(C)C
InChIInChI=1S/C18H21NO6/c1-5-10-22-14-18(12-8-6-7-9-13(12)24-14)11-23-15(20)19(18)16(21)25-17(2,3)4/h5-9,14H,1,10-11H2,2-4H3
InChIKeyOSNGLHNHQMWPBM-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.19
Rot. Bonds3

About tert-butyl 2-oxo-2'-prop-2-enoxyspiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate

tert-butyl 2-oxo-2'-prop-2-enoxyspiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate (PubChem CID 102501815) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is tert-butyl 2-oxo-2'-prop-2-enoxyspiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-oxo-2'-prop-2-enoxyspiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate
PubChem CID102501815
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Nametert-butyl 2-oxo-2'-prop-2-enoxyspiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate
SMILESC=CCOC1Oc2ccccc2C12COC(=O)N2C(=O)OC(C)(C)C
InChIInChI=1S/C18H21NO6/c1-5-10-22-14-18(12-8-6-7-9-13(12)24-14)11-23-15(20)19(18)16(21)25-17(2,3)4/h5-9,14H,1,10-11H2,2-4H3
InChIKeyOSNGLHNHQMWPBM-UHFFFAOYSA-N
XLogP3.19
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl 2-oxo-2'-prop-2-enoxyspiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate with MolForge

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Related Compounds

tert-butyl 6'-chloro-2'-methoxy-2-oxospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate
CID 102501826
tert-butyl (4R,5S)-1'-methyl-2-oxo-5-phenylspiro[1,3-oxazolidine-4,3'-2H-indole]-3-carboxylate
CID 138977780
tert-butyl 3-oxo-2,2-bis(prop-2-enyl)indole-1-carboxylate
CID 135029595
(2R)-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxylic acid
CID 69399881
1-O'-tert-butyl 2-O-methyl spiro[2,3-dihydrochromene-4,4'-piperidine]-1',2-dicarboxylate
CID 131638046
tert-butyl (4R,7S,8R)-8-benzoyloxy-7-methyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octane-5-carboxylate
CID 134833694
1-O'-tert-butyl 2-O-methyl (2S)-spiro[2,3-dihydrochromene-4,4'-piperidine]-1',2-dicarboxylate
CID 125247753
tert-butyl 1-butyl-2'-ethenyl-2'-hydroxy-4-oxospiro[azetidine-2,3'-indole]-1'-carboxylate
CID 11773166
tert-butyl 3-(2-ethenylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171958818
tert-butyl 3,5-dioxo-4,4-bis(prop-2-enyl)piperidine-1-carboxylate
CID 171548647
tert-butyl (6S)-4-benzyl-6-methyl-3-oxo-2,2-bis(prop-2-enyl)piperazine-1-carboxylate
CID 101458020
tert-butyl (3S,4S)-3-hydroxy-4-prop-2-enoxypyrrolidine-1-carboxylate
CID 57019319

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-oxo-2'-prop-2-enoxyspiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate?
The IUPAC name of tert-butyl 2-oxo-2'-prop-2-enoxyspiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate (CID 102501815) is tert-butyl 2-oxo-2'-prop-2-enoxyspiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate.
What is the SMILES notation for tert-butyl 2-oxo-2'-prop-2-enoxyspiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate?
The canonical SMILES for tert-butyl 2-oxo-2'-prop-2-enoxyspiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate is C=CCOC1Oc2ccccc2C12COC(=O)N2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-oxo-2'-prop-2-enoxyspiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate?
The InChIKey is OSNGLHNHQMWPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6/c1-5-10-22-14-18(12-8-6-7-9-13(12)24-14)11-23-15(20)19(18)16(21)25-17(2,3)4/h5-9,14H,1,10-11H2,2-4H3.
What are the key properties of tert-butyl 2-oxo-2'-prop-2-enoxyspiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate?
tert-butyl 2-oxo-2'-prop-2-enoxyspiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate has a molecular weight of 347.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-oxo-2'-prop-2-enoxyspiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate is sourced from PubChem (CID 102501815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).