ethyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate

C14H17NO5 — CID 58936971

IUPACethyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCOC(=O)C1C2C=CC(C2)C1C(=O)N1CCOC1=O
InChIInChI=1S/C14H17NO5/c1-2-19-13(17)11-9-4-3-8(7-9)10(11)12(16)15-5-6-20-14(15)18/h3-4,8-11H,2,5-7H2,1H3
InChIKeyBEEDOFDKBAUYRA-UHFFFAOYSA-N
MW279.29 g/mol
LogP0.97
Rot. Bonds3

About ethyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate

ethyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 58936971) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is ethyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID58936971
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Nameethyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCOC(=O)C1C2C=CC(C2)C1C(=O)N1CCOC1=O
InChIInChI=1S/C14H17NO5/c1-2-19-13(17)11-9-4-3-8(7-9)10(11)12(16)15-5-6-20-14(15)18/h3-4,8-11H,2,5-7H2,1H3
InChIKeyBEEDOFDKBAUYRA-UHFFFAOYSA-N
XLogP0.97
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 ethyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of ethyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 58936971) is ethyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for ethyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for ethyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate is CCOC(=O)C1C2C=CC(C2)C1C(=O)N1CCOC1=O.
What is the InChIKey of ethyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is BEEDOFDKBAUYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-2-19-13(17)11-9-4-3-8(7-9)10(11)12(16)15-5-6-20-14(15)18/h3-4,8-11H,2,5-7H2,1H3.
What are the key properties of ethyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate?
ethyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 279.29 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 58936971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).