sodium 5-methyl-3-prop-2-enyl-1,3-oxazolidin-5-ide-2,4-dione

C7H8NNaO3 — CID 91810501

IUPACsodium 5-methyl-3-prop-2-enyl-1,3-oxazolidin-5-ide-2,4-dione
SMILESC=CCn1c(=O)o[c-](C)c1=O.[Na+]
InChIInChI=1S/C7H8NO3.Na/c1-3-4-8-6(9)5(2)11-7(8)10;/h3H,1,4H2,2H3;/q-1;+1
InChIKeyQXGBKVKAWTZKOL-UHFFFAOYSA-N
MW177.13 g/mol
LogP-2.98
Rot. Bonds2

About sodium 5-methyl-3-prop-2-enyl-1,3-oxazolidin-5-ide-2,4-dione

sodium 5-methyl-3-prop-2-enyl-1,3-oxazolidin-5-ide-2,4-dione (PubChem CID 91810501) has the molecular formula C7H8NNaO3 and a molecular weight of 177.13 g/mol. Its IUPAC name is sodium 5-methyl-3-prop-2-enyl-1,3-oxazolidin-5-ide-2,4-dione.

Molecular Properties

Compound Namesodium 5-methyl-3-prop-2-enyl-1,3-oxazolidin-5-ide-2,4-dione
PubChem CID91810501
Molecular FormulaC7H8NNaO3
Molecular Weight177.13 g/mol
Exact Mass177.04
IUPAC Namesodium 5-methyl-3-prop-2-enyl-1,3-oxazolidin-5-ide-2,4-dione
SMILESC=CCn1c(=O)o[c-](C)c1=O.[Na+]
InChIInChI=1S/C7H8NO3.Na/c1-3-4-8-6(9)5(2)11-7(8)10;/h3H,1,4H2,2H3;/q-1;+1
InChIKeyQXGBKVKAWTZKOL-UHFFFAOYSA-N
XLogP-2.98
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.13
LogP ≤ 5-2.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium 5-methyl-3-prop-2-enyl-1,3-oxazolidin-5-ide-2,4-dione?
The IUPAC name of sodium 5-methyl-3-prop-2-enyl-1,3-oxazolidin-5-ide-2,4-dione (CID 91810501) is sodium 5-methyl-3-prop-2-enyl-1,3-oxazolidin-5-ide-2,4-dione.
What is the SMILES notation for sodium 5-methyl-3-prop-2-enyl-1,3-oxazolidin-5-ide-2,4-dione?
The canonical SMILES for sodium 5-methyl-3-prop-2-enyl-1,3-oxazolidin-5-ide-2,4-dione is C=CCn1c(=O)o[c-](C)c1=O.[Na+].
What is the InChIKey of sodium 5-methyl-3-prop-2-enyl-1,3-oxazolidin-5-ide-2,4-dione?
The InChIKey is QXGBKVKAWTZKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8NO3.Na/c1-3-4-8-6(9)5(2)11-7(8)10;/h3H,1,4H2,2H3;/q-1;+1.
What are the key properties of sodium 5-methyl-3-prop-2-enyl-1,3-oxazolidin-5-ide-2,4-dione?
sodium 5-methyl-3-prop-2-enyl-1,3-oxazolidin-5-ide-2,4-dione has a molecular weight of 177.13 g/mol, XLogP of -2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-methyl-3-prop-2-enyl-1,3-oxazolidin-5-ide-2,4-dione is sourced from PubChem (CID 91810501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).