5-methyl-2-prop-1-en-2-yl-1,3-oxazolidine

C7H13NO — CID 68830433

IUPAC5-methyl-2-prop-1-en-2-yl-1,3-oxazolidine
SMILESC=C(C)C1NCC(C)O1
InChIInChI=1S/C7H13NO/c1-5(2)7-8-4-6(3)9-7/h6-8H,1,4H2,2-3H3
InChIKeyCZLFLSJPTYSATJ-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.90
Rot. Bonds1

About 5-methyl-2-prop-1-en-2-yl-1,3-oxazolidine

5-methyl-2-prop-1-en-2-yl-1,3-oxazolidine (PubChem CID 68830433) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 5-methyl-2-prop-1-en-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name5-methyl-2-prop-1-en-2-yl-1,3-oxazolidine
PubChem CID68830433
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name5-methyl-2-prop-1-en-2-yl-1,3-oxazolidine
SMILESC=C(C)C1NCC(C)O1
InChIInChI=1S/C7H13NO/c1-5(2)7-8-4-6(3)9-7/h6-8H,1,4H2,2-3H3
InChIKeyCZLFLSJPTYSATJ-UHFFFAOYSA-N
XLogP0.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.90
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 5-methyl-2-prop-1-en-2-yl-1,3-oxazolidine?
The IUPAC name of 5-methyl-2-prop-1-en-2-yl-1,3-oxazolidine (CID 68830433) is 5-methyl-2-prop-1-en-2-yl-1,3-oxazolidine.
What is the SMILES notation for 5-methyl-2-prop-1-en-2-yl-1,3-oxazolidine?
The canonical SMILES for 5-methyl-2-prop-1-en-2-yl-1,3-oxazolidine is C=C(C)C1NCC(C)O1.
What is the InChIKey of 5-methyl-2-prop-1-en-2-yl-1,3-oxazolidine?
The InChIKey is CZLFLSJPTYSATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5(2)7-8-4-6(3)9-7/h6-8H,1,4H2,2-3H3.
What are the key properties of 5-methyl-2-prop-1-en-2-yl-1,3-oxazolidine?
5-methyl-2-prop-1-en-2-yl-1,3-oxazolidine has a molecular weight of 127.19 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-prop-1-en-2-yl-1,3-oxazolidine is sourced from PubChem (CID 68830433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).