3-(3-ethylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one

C13H17NO3 — CID 85213600

IUPAC3-(3-ethylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one
SMILESCCC1C2C=CC(C2)C1C(=O)N1CCOC1=O
InChIInChI=1S/C13H17NO3/c1-2-10-8-3-4-9(7-8)11(10)12(15)14-5-6-17-13(14)16/h3-4,8-11H,2,5-7H2,1H3
InChIKeyJQCGAHFGQMPBLW-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.81
Rot. Bonds2

About 3-(3-ethylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one

3-(3-ethylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one (PubChem CID 85213600) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-(3-ethylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-ethylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one
PubChem CID85213600
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-(3-ethylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one
SMILESCCC1C2C=CC(C2)C1C(=O)N1CCOC1=O
InChIInChI=1S/C13H17NO3/c1-2-10-8-3-4-9(7-8)11(10)12(15)14-5-6-17-13(14)16/h3-4,8-11H,2,5-7H2,1H3
InChIKeyJQCGAHFGQMPBLW-UHFFFAOYSA-N
XLogP1.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(3-ethylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-ethylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one (CID 85213600) is 3-(3-ethylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-ethylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-ethylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one is CCC1C2C=CC(C2)C1C(=O)N1CCOC1=O.
What is the InChIKey of 3-(3-ethylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one?
The InChIKey is JQCGAHFGQMPBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-10-8-3-4-9(7-8)11(10)12(15)14-5-6-17-13(14)16/h3-4,8-11H,2,5-7H2,1H3.
What are the key properties of 3-(3-ethylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one?
3-(3-ethylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one has a molecular weight of 235.28 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 85213600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).