2,2-dimethyl-5-(prop-2-enoxymethyl)-1,3-oxazolidine

C9H17NO2 — CID 22160876

IUPAC2,2-dimethyl-5-(prop-2-enoxymethyl)-1,3-oxazolidine
SMILESC=CCOCC1CNC(C)(C)O1
InChIInChI=1S/C9H17NO2/c1-4-5-11-7-8-6-10-9(2,3)12-8/h4,8,10H,1,5-7H2,2-3H3
InChIKeyJNCQUUGDRMKVRE-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.91
Rot. Bonds4

About 2,2-dimethyl-5-(prop-2-enoxymethyl)-1,3-oxazolidine

2,2-dimethyl-5-(prop-2-enoxymethyl)-1,3-oxazolidine (PubChem CID 22160876) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2,2-dimethyl-5-(prop-2-enoxymethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name2,2-dimethyl-5-(prop-2-enoxymethyl)-1,3-oxazolidine
PubChem CID22160876
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2,2-dimethyl-5-(prop-2-enoxymethyl)-1,3-oxazolidine
SMILESC=CCOCC1CNC(C)(C)O1
InChIInChI=1S/C9H17NO2/c1-4-5-11-7-8-6-10-9(2,3)12-8/h4,8,10H,1,5-7H2,2-3H3
InChIKeyJNCQUUGDRMKVRE-UHFFFAOYSA-N
XLogP0.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(prop-2-enoxymethyl)-1,3-oxazolidine?
The IUPAC name of 2,2-dimethyl-5-(prop-2-enoxymethyl)-1,3-oxazolidine (CID 22160876) is 2,2-dimethyl-5-(prop-2-enoxymethyl)-1,3-oxazolidine.
What is the SMILES notation for 2,2-dimethyl-5-(prop-2-enoxymethyl)-1,3-oxazolidine?
The canonical SMILES for 2,2-dimethyl-5-(prop-2-enoxymethyl)-1,3-oxazolidine is C=CCOCC1CNC(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-5-(prop-2-enoxymethyl)-1,3-oxazolidine?
The InChIKey is JNCQUUGDRMKVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-5-11-7-8-6-10-9(2,3)12-8/h4,8,10H,1,5-7H2,2-3H3.
What are the key properties of 2,2-dimethyl-5-(prop-2-enoxymethyl)-1,3-oxazolidine?
2,2-dimethyl-5-(prop-2-enoxymethyl)-1,3-oxazolidine has a molecular weight of 171.24 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(prop-2-enoxymethyl)-1,3-oxazolidine is sourced from PubChem (CID 22160876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).