4,4-dimethyl-3-prop-2-enoyl-1,3-oxazolidin-2-one

C8H11NO3 — CID 11206008

IUPAC4,4-dimethyl-3-prop-2-enoyl-1,3-oxazolidin-2-one
SMILESC=CC(=O)N1C(=O)OCC1(C)C
InChIInChI=1S/C8H11NO3/c1-4-6(10)9-7(11)12-5-8(9,2)3/h4H,1,5H2,2-3H3
InChIKeyRDPLMLHGTKXGNW-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.93
Rot. Bonds1

About 4,4-dimethyl-3-prop-2-enoyl-1,3-oxazolidin-2-one

4,4-dimethyl-3-prop-2-enoyl-1,3-oxazolidin-2-one (PubChem CID 11206008) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4,4-dimethyl-3-prop-2-enoyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-3-prop-2-enoyl-1,3-oxazolidin-2-one
PubChem CID11206008
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name4,4-dimethyl-3-prop-2-enoyl-1,3-oxazolidin-2-one
SMILESC=CC(=O)N1C(=O)OCC1(C)C
InChIInChI=1S/C8H11NO3/c1-4-6(10)9-7(11)12-5-8(9,2)3/h4H,1,5H2,2-3H3
InChIKeyRDPLMLHGTKXGNW-UHFFFAOYSA-N
XLogP0.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-prop-2-enoyl-1,3-oxazolidin-2-one?
The IUPAC name of 4,4-dimethyl-3-prop-2-enoyl-1,3-oxazolidin-2-one (CID 11206008) is 4,4-dimethyl-3-prop-2-enoyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4,4-dimethyl-3-prop-2-enoyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4,4-dimethyl-3-prop-2-enoyl-1,3-oxazolidin-2-one is C=CC(=O)N1C(=O)OCC1(C)C.
What is the InChIKey of 4,4-dimethyl-3-prop-2-enoyl-1,3-oxazolidin-2-one?
The InChIKey is RDPLMLHGTKXGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-4-6(10)9-7(11)12-5-8(9,2)3/h4H,1,5H2,2-3H3.
What are the key properties of 4,4-dimethyl-3-prop-2-enoyl-1,3-oxazolidin-2-one?
4,4-dimethyl-3-prop-2-enoyl-1,3-oxazolidin-2-one has a molecular weight of 169.18 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-prop-2-enoyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11206008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).