4,5-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine

C8H15NO — CID 68827780

IUPAC4,5-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine
SMILESC=C(C)C1NC(C)C(C)O1
InChIInChI=1S/C8H15NO/c1-5(2)8-9-6(3)7(4)10-8/h6-9H,1H2,2-4H3
InChIKeyIGDUEPHKZWPVNC-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.29
Rot. Bonds1

About 4,5-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine

4,5-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine (PubChem CID 68827780) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4,5-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name4,5-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine
PubChem CID68827780
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4,5-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine
SMILESC=C(C)C1NC(C)C(C)O1
InChIInChI=1S/C8H15NO/c1-5(2)8-9-6(3)7(4)10-8/h6-9H,1H2,2-4H3
InChIKeyIGDUEPHKZWPVNC-UHFFFAOYSA-N
XLogP1.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.29
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 4,5-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine?
The IUPAC name of 4,5-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine (CID 68827780) is 4,5-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine.
What is the SMILES notation for 4,5-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine?
The canonical SMILES for 4,5-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine is C=C(C)C1NC(C)C(C)O1.
What is the InChIKey of 4,5-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine?
The InChIKey is IGDUEPHKZWPVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-5(2)8-9-6(3)7(4)10-8/h6-9H,1H2,2-4H3.
What are the key properties of 4,5-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine?
4,5-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine has a molecular weight of 141.21 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine is sourced from PubChem (CID 68827780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).