4-but-1-en-2-yl-2,2,3-trimethyl-1,3-oxazolidine

C10H19NO — CID 59110304

IUPAC4-but-1-en-2-yl-2,2,3-trimethyl-1,3-oxazolidine
SMILESC=C(CC)C1COC(C)(C)N1C
InChIInChI=1S/C10H19NO/c1-6-8(2)9-7-12-10(3,4)11(9)5/h9H,2,6-7H2,1,3-5H3
InChIKeyXBBYDLMYFCNJNG-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.02
Rot. Bonds2

About 4-but-1-en-2-yl-2,2,3-trimethyl-1,3-oxazolidine

4-but-1-en-2-yl-2,2,3-trimethyl-1,3-oxazolidine (PubChem CID 59110304) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-but-1-en-2-yl-2,2,3-trimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name4-but-1-en-2-yl-2,2,3-trimethyl-1,3-oxazolidine
PubChem CID59110304
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-but-1-en-2-yl-2,2,3-trimethyl-1,3-oxazolidine
SMILESC=C(CC)C1COC(C)(C)N1C
InChIInChI=1S/C10H19NO/c1-6-8(2)9-7-12-10(3,4)11(9)5/h9H,2,6-7H2,1,3-5H3
InChIKeyXBBYDLMYFCNJNG-UHFFFAOYSA-N
XLogP2.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
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 4-but-1-en-2-yl-2,2,3-trimethyl-1,3-oxazolidine?
The IUPAC name of 4-but-1-en-2-yl-2,2,3-trimethyl-1,3-oxazolidine (CID 59110304) is 4-but-1-en-2-yl-2,2,3-trimethyl-1,3-oxazolidine.
What is the SMILES notation for 4-but-1-en-2-yl-2,2,3-trimethyl-1,3-oxazolidine?
The canonical SMILES for 4-but-1-en-2-yl-2,2,3-trimethyl-1,3-oxazolidine is C=C(CC)C1COC(C)(C)N1C.
What is the InChIKey of 4-but-1-en-2-yl-2,2,3-trimethyl-1,3-oxazolidine?
The InChIKey is XBBYDLMYFCNJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-6-8(2)9-7-12-10(3,4)11(9)5/h9H,2,6-7H2,1,3-5H3.
What are the key properties of 4-but-1-en-2-yl-2,2,3-trimethyl-1,3-oxazolidine?
4-but-1-en-2-yl-2,2,3-trimethyl-1,3-oxazolidine has a molecular weight of 169.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-1-en-2-yl-2,2,3-trimethyl-1,3-oxazolidine is sourced from PubChem (CID 59110304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).