5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one

C7H9NO2 — CID 11658305

IUPAC5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCN1CC(=C)OC1=O
InChIInChI=1S/C7H9NO2/c1-3-4-8-5-6(2)10-7(8)9/h3H,1-2,4-5H2
InChIKeyYWTMJQCFYDEHBH-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.14
Rot. Bonds2

About 5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one

5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one (PubChem CID 11658305) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one
PubChem CID11658305
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCN1CC(=C)OC1=O
InChIInChI=1S/C7H9NO2/c1-3-4-8-5-6(2)10-7(8)9/h3H,1-2,4-5H2
InChIKeyYWTMJQCFYDEHBH-UHFFFAOYSA-N
XLogP1.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.14
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 5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one (CID 11658305) is 5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one is C=CCN1CC(=C)OC1=O.
What is the InChIKey of 5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one?
The InChIKey is YWTMJQCFYDEHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-3-4-8-5-6(2)10-7(8)9/h3H,1-2,4-5H2.
What are the key properties of 5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one?
5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one has a molecular weight of 139.15 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11658305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).