sodium (4R)-4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one

C8H12N2NaO3+ — CID 139596774

IUPACsodium (4R)-4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one
SMILESCC(=O)C=C(C)N[C@@H]1CONC1=O.[Na+]
InChIInChI=1S/C8H12N2O3.Na/c1-5(3-6(2)11)9-7-4-13-10-8(7)12;/h3,7,9H,4H2,1-2H3,(H,10,12);/q;+1/t7-;/m1./s1
InChIKeyQJUNMGBNXIOATH-OGFXRTJISA-N
MW207.18 g/mol
LogP-3.50
Rot. Bonds3

About sodium (4R)-4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one

sodium (4R)-4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one (PubChem CID 139596774) has the molecular formula C8H12N2NaO3+ and a molecular weight of 207.18 g/mol. Its IUPAC name is sodium (4R)-4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one.

Molecular Properties

Compound Namesodium (4R)-4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one
PubChem CID139596774
Molecular FormulaC8H12N2NaO3+
Molecular Weight207.18 g/mol
Exact Mass207.07
IUPAC Namesodium (4R)-4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one
SMILESCC(=O)C=C(C)N[C@@H]1CONC1=O.[Na+]
InChIInChI=1S/C8H12N2O3.Na/c1-5(3-6(2)11)9-7-4-13-10-8(7)12;/h3,7,9H,4H2,1-2H3,(H,10,12);/q;+1/t7-;/m1./s1
InChIKeyQJUNMGBNXIOATH-OGFXRTJISA-N
XLogP-3.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 5-3.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 sodium (4R)-4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one?
The IUPAC name of sodium (4R)-4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one (CID 139596774) is sodium (4R)-4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one.
What is the SMILES notation for sodium (4R)-4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one?
The canonical SMILES for sodium (4R)-4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one is CC(=O)C=C(C)N[C@@H]1CONC1=O.[Na+].
What is the InChIKey of sodium (4R)-4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one?
The InChIKey is QJUNMGBNXIOATH-OGFXRTJISA-N. The full InChI is InChI=1S/C8H12N2O3.Na/c1-5(3-6(2)11)9-7-4-13-10-8(7)12;/h3,7,9H,4H2,1-2H3,(H,10,12);/q;+1/t7-;/m1./s1.
What are the key properties of sodium (4R)-4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one?
sodium (4R)-4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one has a molecular weight of 207.18 g/mol, XLogP of -3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (4R)-4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one is sourced from PubChem (CID 139596774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).