tert-butyl (4Z)-4-(bromomethylidene)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate

C10H14BrNO4 — CID 177470444

IUPACtert-butyl (4Z)-4-(bromomethylidene)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC1OC(=O)/C(=C/Br)N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H14BrNO4/c1-6-12(7(5-11)8(13)15-6)9(14)16-10(2,3)4/h5-6H,1-4H3/b7-5-
InChIKeyZAAWXDMOHCLENC-ALCCZGGFSA-N
MW292.13 g/mol
LogP2.36
Rot. Bonds

About tert-butyl (4Z)-4-(bromomethylidene)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate

tert-butyl (4Z)-4-(bromomethylidene)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 177470444) has the molecular formula C10H14BrNO4 and a molecular weight of 292.13 g/mol. Its IUPAC name is tert-butyl (4Z)-4-(bromomethylidene)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4Z)-4-(bromomethylidene)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID177470444
Molecular FormulaC10H14BrNO4
Molecular Weight292.13 g/mol
Exact Mass291.01
IUPAC Nametert-butyl (4Z)-4-(bromomethylidene)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC1OC(=O)/C(=C/Br)N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H14BrNO4/c1-6-12(7(5-11)8(13)15-6)9(14)16-10(2,3)4/h5-6H,1-4H3/b7-5-
InChIKeyZAAWXDMOHCLENC-ALCCZGGFSA-N
XLogP2.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (3S,5S)-5-formyl-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 89448958
tert-butyl (2R,3R)-2-methyl-4-oxo-3-(trideuteriomethyl)azetidine-1-carboxylate
CID 58618366
(4S,5S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
CID 58831683
tert-butyl 2,4-dimethyl-3-oxoazetidine-1-carboxylate
CID 135392142
tert-butyl (3R,5R)-3-hydroxy-5-methyl-2-oxopyrrolidine-1-carboxylate
CID 10976837
tert-butyl (3R,6R)-3,6-dimethyl-2-oxopiperidine-1-carboxylate
CID 11736302
tert-butyl (1S,4Z)-8-benzyl-4-(bromomethylidene)-2-(hydroxymethyl)-7-oxo-5-phenyl-3,8-diazabicyclo[4.2.0]oct-5-ene-3-carboxylate
CID 154717627
tert-butyl (2S)-2-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 122364870
tert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 21299736
tert-butyl 5-(iodomethyl)-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 130003338
ditert-butyl (2R,3S)-4-oxo-3-(trideuteriomethyl)azetidine-1,2-dicarboxylate
CID 10924199
tert-butyl (2S,4R)-4-hydroxy-2-methyl-6-oxopiperidine-1-carboxylate
CID 102357347

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4Z)-4-(bromomethylidene)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4Z)-4-(bromomethylidene)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate (CID 177470444) is tert-butyl (4Z)-4-(bromomethylidene)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4Z)-4-(bromomethylidene)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4Z)-4-(bromomethylidene)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate is CC1OC(=O)/C(=C/Br)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4Z)-4-(bromomethylidene)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is ZAAWXDMOHCLENC-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H14BrNO4/c1-6-12(7(5-11)8(13)15-6)9(14)16-10(2,3)4/h5-6H,1-4H3/b7-5-.
What are the key properties of tert-butyl (4Z)-4-(bromomethylidene)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate?
tert-butyl (4Z)-4-(bromomethylidene)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 292.13 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4Z)-4-(bromomethylidene)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 177470444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).