methyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate

C8H11NO4 — CID 14083778

IUPACmethyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate
SMILESC=CCC1OC(=O)NC1C(=O)OC
InChIInChI=1S/C8H11NO4/c1-3-4-5-6(7(10)12-2)9-8(11)13-5/h3,5-6H,1,4H2,2H3,(H,9,11)
InChIKeyPIOAAKRAIQMCNR-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.21
Rot. Bonds3

About methyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate

methyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate (PubChem CID 14083778) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is methyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate
PubChem CID14083778
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Namemethyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate
SMILESC=CCC1OC(=O)NC1C(=O)OC
InChIInChI=1S/C8H11NO4/c1-3-4-5-6(7(10)12-2)9-8(11)13-5/h3,5-6H,1,4H2,2H3,(H,9,11)
InChIKeyPIOAAKRAIQMCNR-UHFFFAOYSA-N
XLogP0.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate (CID 14083778) is methyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate is C=CCC1OC(=O)NC1C(=O)OC.
What is the InChIKey of methyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate?
The InChIKey is PIOAAKRAIQMCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-3-4-5-6(7(10)12-2)9-8(11)13-5/h3,5-6H,1,4H2,2H3,(H,9,11).
What are the key properties of methyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate?
methyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate has a molecular weight of 185.18 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 14083778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).