3-[1-(2-methylprop-2-enoxy)ethyl]-1,3-oxazolidine

C9H17NO2 — CID 70600563

IUPAC3-[1-(2-methylprop-2-enoxy)ethyl]-1,3-oxazolidine
SMILESC=C(C)COC(C)N1CCOC1
InChIInChI=1S/C9H17NO2/c1-8(2)6-12-9(3)10-4-5-11-7-10/h9H,1,4-7H2,2-3H3
InChIKeyQCXHGDFBXSKEJQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.21
Rot. Bonds4

About 3-[1-(2-methylprop-2-enoxy)ethyl]-1,3-oxazolidine

3-[1-(2-methylprop-2-enoxy)ethyl]-1,3-oxazolidine (PubChem CID 70600563) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-[1-(2-methylprop-2-enoxy)ethyl]-1,3-oxazolidine.

Molecular Properties

Compound Name3-[1-(2-methylprop-2-enoxy)ethyl]-1,3-oxazolidine
PubChem CID70600563
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-[1-(2-methylprop-2-enoxy)ethyl]-1,3-oxazolidine
SMILESC=C(C)COC(C)N1CCOC1
InChIInChI=1S/C9H17NO2/c1-8(2)6-12-9(3)10-4-5-11-7-10/h9H,1,4-7H2,2-3H3
InChIKeyQCXHGDFBXSKEJQ-UHFFFAOYSA-N
XLogP1.21
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.21
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-[1-(2-methylprop-2-enoxy)ethyl]-1,3-oxazolidine?
The IUPAC name of 3-[1-(2-methylprop-2-enoxy)ethyl]-1,3-oxazolidine (CID 70600563) is 3-[1-(2-methylprop-2-enoxy)ethyl]-1,3-oxazolidine.
What is the SMILES notation for 3-[1-(2-methylprop-2-enoxy)ethyl]-1,3-oxazolidine?
The canonical SMILES for 3-[1-(2-methylprop-2-enoxy)ethyl]-1,3-oxazolidine is C=C(C)COC(C)N1CCOC1.
What is the InChIKey of 3-[1-(2-methylprop-2-enoxy)ethyl]-1,3-oxazolidine?
The InChIKey is QCXHGDFBXSKEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2)6-12-9(3)10-4-5-11-7-10/h9H,1,4-7H2,2-3H3.
What are the key properties of 3-[1-(2-methylprop-2-enoxy)ethyl]-1,3-oxazolidine?
3-[1-(2-methylprop-2-enoxy)ethyl]-1,3-oxazolidine has a molecular weight of 171.24 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylprop-2-enoxy)ethyl]-1,3-oxazolidine is sourced from PubChem (CID 70600563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).