3-but-3-en-2-yl-1,3-oxazolidin-2-one

C7H11NO2 — CID 23283739

IUPAC3-but-3-en-2-yl-1,3-oxazolidin-2-one
SMILESC=CC(C)N1CCOC1=O
InChIInChI=1S/C7H11NO2/c1-3-6(2)8-4-5-10-7(8)9/h3,6H,1,4-5H2,2H3
InChIKeyZRJHSUJJRYRPRV-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.01
Rot. Bonds2

About 3-but-3-en-2-yl-1,3-oxazolidin-2-one

3-but-3-en-2-yl-1,3-oxazolidin-2-one (PubChem CID 23283739) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-but-3-en-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-but-3-en-2-yl-1,3-oxazolidin-2-one
PubChem CID23283739
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3-but-3-en-2-yl-1,3-oxazolidin-2-one
SMILESC=CC(C)N1CCOC1=O
InChIInChI=1S/C7H11NO2/c1-3-6(2)8-4-5-10-7(8)9/h3,6H,1,4-5H2,2H3
InChIKeyZRJHSUJJRYRPRV-UHFFFAOYSA-N
XLogP1.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.01
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 3-but-3-en-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-but-3-en-2-yl-1,3-oxazolidin-2-one (CID 23283739) is 3-but-3-en-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-but-3-en-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-but-3-en-2-yl-1,3-oxazolidin-2-one is C=CC(C)N1CCOC1=O.
What is the InChIKey of 3-but-3-en-2-yl-1,3-oxazolidin-2-one?
The InChIKey is ZRJHSUJJRYRPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-6(2)8-4-5-10-7(8)9/h3,6H,1,4-5H2,2H3.
What are the key properties of 3-but-3-en-2-yl-1,3-oxazolidin-2-one?
3-but-3-en-2-yl-1,3-oxazolidin-2-one has a molecular weight of 141.17 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-en-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 23283739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).