4-(2-methylpropyl)-5-(2-oxoethenyl)-1,3-oxazolidin-2-one

C9H13NO3 — CID 139635655

IUPAC4-(2-methylpropyl)-5-(2-oxoethenyl)-1,3-oxazolidin-2-one
SMILESCC(C)CC1NC(=O)OC1C=C=O
InChIInChI=1S/C9H13NO3/c1-6(2)5-7-8(3-4-11)13-9(12)10-7/h3,6-8H,5H2,1-2H3,(H,10,12)
InChIKeyVUTBZBYQNNDXBL-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.90
Rot. Bonds3

About 4-(2-methylpropyl)-5-(2-oxoethenyl)-1,3-oxazolidin-2-one

4-(2-methylpropyl)-5-(2-oxoethenyl)-1,3-oxazolidin-2-one (PubChem CID 139635655) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-(2-methylpropyl)-5-(2-oxoethenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(2-methylpropyl)-5-(2-oxoethenyl)-1,3-oxazolidin-2-one
PubChem CID139635655
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name4-(2-methylpropyl)-5-(2-oxoethenyl)-1,3-oxazolidin-2-one
SMILESCC(C)CC1NC(=O)OC1C=C=O
InChIInChI=1S/C9H13NO3/c1-6(2)5-7-8(3-4-11)13-9(12)10-7/h3,6-8H,5H2,1-2H3,(H,10,12)
InChIKeyVUTBZBYQNNDXBL-UHFFFAOYSA-N
XLogP0.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-5-(2-oxoethenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(2-methylpropyl)-5-(2-oxoethenyl)-1,3-oxazolidin-2-one (CID 139635655) is 4-(2-methylpropyl)-5-(2-oxoethenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(2-methylpropyl)-5-(2-oxoethenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(2-methylpropyl)-5-(2-oxoethenyl)-1,3-oxazolidin-2-one is CC(C)CC1NC(=O)OC1C=C=O.
What is the InChIKey of 4-(2-methylpropyl)-5-(2-oxoethenyl)-1,3-oxazolidin-2-one?
The InChIKey is VUTBZBYQNNDXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-6(2)5-7-8(3-4-11)13-9(12)10-7/h3,6-8H,5H2,1-2H3,(H,10,12).
What are the key properties of 4-(2-methylpropyl)-5-(2-oxoethenyl)-1,3-oxazolidin-2-one?
4-(2-methylpropyl)-5-(2-oxoethenyl)-1,3-oxazolidin-2-one has a molecular weight of 183.21 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-5-(2-oxoethenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 139635655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).