lithium;4-benzyl-1,3-oxazolidine-2,5-dione;hydride

C10H10LiNO3 — CID 174305172

IUPAClithium;4-benzyl-1,3-oxazolidine-2,5-dione;hydride
SMILESO=C1NC(Cc2ccccc2)C(=O)O1.[H-].[Li+]
InChIInChI=1S/C10H9NO3.Li.H/c12-9-8(11-10(13)14-9)6-7-4-2-1-3-5-7;;/h1-5,8H,6H2,(H,11,13);;/q;+1;-1
InChIKeyCCPZHJOLGAEYEZ-UHFFFAOYSA-N
MW199.14 g/mol
LogP-2.02
Rot. Bonds2

About lithium;4-benzyl-1,3-oxazolidine-2,5-dione;hydride

lithium;4-benzyl-1,3-oxazolidine-2,5-dione;hydride (PubChem CID 174305172) has the molecular formula C10H10LiNO3 and a molecular weight of 199.14 g/mol. Its IUPAC name is lithium;4-benzyl-1,3-oxazolidine-2,5-dione;hydride.

Molecular Properties

Compound Namelithium;4-benzyl-1,3-oxazolidine-2,5-dione;hydride
PubChem CID174305172
Molecular FormulaC10H10LiNO3
Molecular Weight199.14 g/mol
Exact Mass199.08
IUPAC Namelithium;4-benzyl-1,3-oxazolidine-2,5-dione;hydride
SMILESO=C1NC(Cc2ccccc2)C(=O)O1.[H-].[Li+]
InChIInChI=1S/C10H9NO3.Li.H/c12-9-8(11-10(13)14-9)6-7-4-2-1-3-5-7;;/h1-5,8H,6H2,(H,11,13);;/q;+1;-1
InChIKeyCCPZHJOLGAEYEZ-UHFFFAOYSA-N
XLogP-2.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.14
LogP ≤ 5-2.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium;4-benzyl-1,3-oxazolidine-2,5-dione;hydride?
The IUPAC name of lithium;4-benzyl-1,3-oxazolidine-2,5-dione;hydride (CID 174305172) is lithium;4-benzyl-1,3-oxazolidine-2,5-dione;hydride.
What is the SMILES notation for lithium;4-benzyl-1,3-oxazolidine-2,5-dione;hydride?
The canonical SMILES for lithium;4-benzyl-1,3-oxazolidine-2,5-dione;hydride is O=C1NC(Cc2ccccc2)C(=O)O1.[H-].[Li+].
What is the InChIKey of lithium;4-benzyl-1,3-oxazolidine-2,5-dione;hydride?
The InChIKey is CCPZHJOLGAEYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3.Li.H/c12-9-8(11-10(13)14-9)6-7-4-2-1-3-5-7;;/h1-5,8H,6H2,(H,11,13);;/q;+1;-1.
What are the key properties of lithium;4-benzyl-1,3-oxazolidine-2,5-dione;hydride?
lithium;4-benzyl-1,3-oxazolidine-2,5-dione;hydride has a molecular weight of 199.14 g/mol, XLogP of -2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;4-benzyl-1,3-oxazolidine-2,5-dione;hydride is sourced from PubChem (CID 174305172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).