3-(2-ethylbut-3-enoyl)-5,5-dimethyl-1,3-oxazolidin-2-one

C11H17NO3 — CID 126630265

IUPAC3-(2-ethylbut-3-enoyl)-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESC=CC(CC)C(=O)N1CC(C)(C)OC1=O
InChIInChI=1S/C11H17NO3/c1-5-8(6-2)9(13)12-7-11(3,4)15-10(12)14/h5,8H,1,6-7H2,2-4H3
InChIKeyJPMVPVMTHYWLIF-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.96
Rot. Bonds3

About 3-(2-ethylbut-3-enoyl)-5,5-dimethyl-1,3-oxazolidin-2-one

3-(2-ethylbut-3-enoyl)-5,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 126630265) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(2-ethylbut-3-enoyl)-5,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-ethylbut-3-enoyl)-5,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID126630265
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-(2-ethylbut-3-enoyl)-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESC=CC(CC)C(=O)N1CC(C)(C)OC1=O
InChIInChI=1S/C11H17NO3/c1-5-8(6-2)9(13)12-7-11(3,4)15-10(12)14/h5,8H,1,6-7H2,2-4H3
InChIKeyJPMVPVMTHYWLIF-UHFFFAOYSA-N
XLogP1.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.96
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-(2-ethylbut-3-enoyl)-5,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-ethylbut-3-enoyl)-5,5-dimethyl-1,3-oxazolidin-2-one (CID 126630265) is 3-(2-ethylbut-3-enoyl)-5,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-ethylbut-3-enoyl)-5,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-ethylbut-3-enoyl)-5,5-dimethyl-1,3-oxazolidin-2-one is C=CC(CC)C(=O)N1CC(C)(C)OC1=O.
What is the InChIKey of 3-(2-ethylbut-3-enoyl)-5,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is JPMVPVMTHYWLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-5-8(6-2)9(13)12-7-11(3,4)15-10(12)14/h5,8H,1,6-7H2,2-4H3.
What are the key properties of 3-(2-ethylbut-3-enoyl)-5,5-dimethyl-1,3-oxazolidin-2-one?
3-(2-ethylbut-3-enoyl)-5,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 211.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbut-3-enoyl)-5,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 126630265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).