4,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one

C8H13NO2 — CID 154090707

IUPAC4,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one
SMILESC=C(C)C1OC(=O)NC1(C)C
InChIInChI=1S/C8H13NO2/c1-5(2)6-8(3,4)9-7(10)11-6/h6H,1H2,2-4H3,(H,9,10)
InChIKeyADMYZTWDGMAPQJ-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.45
Rot. Bonds1

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

4,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one (PubChem CID 154090707) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one
PubChem CID154090707
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one
SMILESC=C(C)C1OC(=O)NC1(C)C
InChIInChI=1S/C8H13NO2/c1-5(2)6-8(3,4)9-7(10)11-6/h6H,1H2,2-4H3,(H,9,10)
InChIKeyADMYZTWDGMAPQJ-UHFFFAOYSA-N
XLogP1.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.45
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 4,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 4,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one (CID 154090707) is 4,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 4,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one is C=C(C)C1OC(=O)NC1(C)C.
What is the InChIKey of 4,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one?
The InChIKey is ADMYZTWDGMAPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5(2)6-8(3,4)9-7(10)11-6/h6H,1H2,2-4H3,(H,9,10).
What are the key properties of 4,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one?
4,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 154090707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).