2-(3-methylbut-1-en-2-yl)-1,3-oxazolidine

C8H15NO — CID 174558011

IUPAC2-(3-methylbut-1-en-2-yl)-1,3-oxazolidine
SMILESC=C(C(C)C)C1NCCO1
InChIInChI=1S/C8H15NO/c1-6(2)7(3)8-9-4-5-10-8/h6,8-9H,3-5H2,1-2H3
InChIKeySWNKOIYJOJJLLC-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.14
Rot. Bonds2

About 2-(3-methylbut-1-en-2-yl)-1,3-oxazolidine

2-(3-methylbut-1-en-2-yl)-1,3-oxazolidine (PubChem CID 174558011) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-(3-methylbut-1-en-2-yl)-1,3-oxazolidine.

Molecular Properties

Compound Name2-(3-methylbut-1-en-2-yl)-1,3-oxazolidine
PubChem CID174558011
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-(3-methylbut-1-en-2-yl)-1,3-oxazolidine
SMILESC=C(C(C)C)C1NCCO1
InChIInChI=1S/C8H15NO/c1-6(2)7(3)8-9-4-5-10-8/h6,8-9H,3-5H2,1-2H3
InChIKeySWNKOIYJOJJLLC-UHFFFAOYSA-N
XLogP1.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(3-methylbut-1-en-2-yl)-1,3-oxazolidine?
The IUPAC name of 2-(3-methylbut-1-en-2-yl)-1,3-oxazolidine (CID 174558011) is 2-(3-methylbut-1-en-2-yl)-1,3-oxazolidine.
What is the SMILES notation for 2-(3-methylbut-1-en-2-yl)-1,3-oxazolidine?
The canonical SMILES for 2-(3-methylbut-1-en-2-yl)-1,3-oxazolidine is C=C(C(C)C)C1NCCO1.
What is the InChIKey of 2-(3-methylbut-1-en-2-yl)-1,3-oxazolidine?
The InChIKey is SWNKOIYJOJJLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)7(3)8-9-4-5-10-8/h6,8-9H,3-5H2,1-2H3.
What are the key properties of 2-(3-methylbut-1-en-2-yl)-1,3-oxazolidine?
2-(3-methylbut-1-en-2-yl)-1,3-oxazolidine has a molecular weight of 141.21 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-1-en-2-yl)-1,3-oxazolidine is sourced from PubChem (CID 174558011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).