3-but-2-enoyl-5-methyl-1,3-oxazolidin-2-one

C8H11NO3 — CID 141098861

IUPAC3-but-2-enoyl-5-methyl-1,3-oxazolidin-2-one
SMILESCC=CC(=O)N1CC(C)OC1=O
InChIInChI=1S/C8H11NO3/c1-3-4-7(10)9-5-6(2)12-8(9)11/h3-4,6H,5H2,1-2H3
InChIKeyXSYMOAHOMZEVTB-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.93
Rot. Bonds1

About 3-but-2-enoyl-5-methyl-1,3-oxazolidin-2-one

3-but-2-enoyl-5-methyl-1,3-oxazolidin-2-one (PubChem CID 141098861) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-but-2-enoyl-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-but-2-enoyl-5-methyl-1,3-oxazolidin-2-one
PubChem CID141098861
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name3-but-2-enoyl-5-methyl-1,3-oxazolidin-2-one
SMILESCC=CC(=O)N1CC(C)OC1=O
InChIInChI=1S/C8H11NO3/c1-3-4-7(10)9-5-6(2)12-8(9)11/h3-4,6H,5H2,1-2H3
InChIKeyXSYMOAHOMZEVTB-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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Related Compounds

5-Methyl-3-(2-propen-1-yl)-2,4-oxazolidinedione
CID 10683
3-[(E)-2-Butenoyl]-1,3-oxazolidin-2-one
CID 5365845
3-(2-Butenoyl)-1,3-oxazolidin-2-one
CID 549611
(N-Crotonyl)-(4S)-isopropyl-2-oxazolidinone
CID 5702601
3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one
CID 10511334
3-(4-Methyl-2-pentenoyl)-2-oxazolidinone
CID 10921168
3-(2-Hexenoyl)-2-oxazolidinone
CID 10997691
3-[(E)-2-methylbut-2-enoyl]-1,3-oxazolidin-2-one
CID 14972440
3-(2-Methylbut-2-enoyl)-1,3-oxazolidin-2-one
CID 66799716
3-(4-Fluorobut-2-enoyl)-1,3-oxazolidin-2-one
CID 141333748
3-Allyl-5-methyl-1,3-oxazolidin-2-one
CID 534901
3-(1-Oxobut-2-enyl)-4-propan-2-yl-2-oxazolidinone
CID 13296267

Frequently Asked Questions

What is the IUPAC name of 3-but-2-enoyl-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-but-2-enoyl-5-methyl-1,3-oxazolidin-2-one (CID 141098861) is 3-but-2-enoyl-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-but-2-enoyl-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-but-2-enoyl-5-methyl-1,3-oxazolidin-2-one is CC=CC(=O)N1CC(C)OC1=O.
What is the InChIKey of 3-but-2-enoyl-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is XSYMOAHOMZEVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-3-4-7(10)9-5-6(2)12-8(9)11/h3-4,6H,5H2,1-2H3.
What are the key properties of 3-but-2-enoyl-5-methyl-1,3-oxazolidin-2-one?
3-but-2-enoyl-5-methyl-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 3-but-2-enoyl-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 141098861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).