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

C6H11NO — CID 54277332

IUPAC2-prop-1-en-2-yl-1,3-oxazolidine
SMILESC=C(C)C1NCCO1
InChIInChI=1S/C6H11NO/c1-5(2)6-7-3-4-8-6/h6-7H,1,3-4H2,2H3
InChIKeyCQUIQFYOUGOYCK-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.51
Rot. Bonds1

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

2-prop-1-en-2-yl-1,3-oxazolidine (PubChem CID 54277332) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-prop-1-en-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name2-prop-1-en-2-yl-1,3-oxazolidine
PubChem CID54277332
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-prop-1-en-2-yl-1,3-oxazolidine
SMILESC=C(C)C1NCCO1
InChIInChI=1S/C6H11NO/c1-5(2)6-7-3-4-8-6/h6-7H,1,3-4H2,2H3
InChIKeyCQUIQFYOUGOYCK-UHFFFAOYSA-N
XLogP0.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.51
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-prop-1-en-2-yl-1,3-oxazolidine?
The IUPAC name of 2-prop-1-en-2-yl-1,3-oxazolidine (CID 54277332) is 2-prop-1-en-2-yl-1,3-oxazolidine.
What is the SMILES notation for 2-prop-1-en-2-yl-1,3-oxazolidine?
The canonical SMILES for 2-prop-1-en-2-yl-1,3-oxazolidine is C=C(C)C1NCCO1.
What is the InChIKey of 2-prop-1-en-2-yl-1,3-oxazolidine?
The InChIKey is CQUIQFYOUGOYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5(2)6-7-3-4-8-6/h6-7H,1,3-4H2,2H3.
What are the key properties of 2-prop-1-en-2-yl-1,3-oxazolidine?
2-prop-1-en-2-yl-1,3-oxazolidine has a molecular weight of 113.16 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-yl-1,3-oxazolidine is sourced from PubChem (CID 54277332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).