calcium;3-ethyl-3-methylpyrrolidine-2,5-dione;hydride

C7H13CaNO2 — CID 173338216

IUPACcalcium;3-ethyl-3-methylpyrrolidine-2,5-dione;hydride
SMILESCCC1(C)CC(=O)NC1=O.[Ca+2].[H-].[H-]
InChIInChI=1S/C7H11NO2.Ca.2H/c1-3-7(2)4-5(9)8-6(7)10;;;/h3-4H2,1-2H3,(H,8,9,10);;;/q;+2;2*-1
InChIKeyWRMMGMFGFSYEEN-UHFFFAOYSA-N
MW183.26 g/mol
LogP0.29
Rot. Bonds1

About calcium;3-ethyl-3-methylpyrrolidine-2,5-dione;hydride

calcium;3-ethyl-3-methylpyrrolidine-2,5-dione;hydride (PubChem CID 173338216) has the molecular formula C7H13CaNO2 and a molecular weight of 183.26 g/mol. Its IUPAC name is calcium;3-ethyl-3-methylpyrrolidine-2,5-dione;hydride.

Molecular Properties

Compound Namecalcium;3-ethyl-3-methylpyrrolidine-2,5-dione;hydride
PubChem CID173338216
Molecular FormulaC7H13CaNO2
Molecular Weight183.26 g/mol
Exact Mass183.06
IUPAC Namecalcium;3-ethyl-3-methylpyrrolidine-2,5-dione;hydride
SMILESCCC1(C)CC(=O)NC1=O.[Ca+2].[H-].[H-]
InChIInChI=1S/C7H11NO2.Ca.2H/c1-3-7(2)4-5(9)8-6(7)10;;;/h3-4H2,1-2H3,(H,8,9,10);;;/q;+2;2*-1
InChIKeyWRMMGMFGFSYEEN-UHFFFAOYSA-N
XLogP0.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of calcium;3-ethyl-3-methylpyrrolidine-2,5-dione;hydride?
The IUPAC name of calcium;3-ethyl-3-methylpyrrolidine-2,5-dione;hydride (CID 173338216) is calcium;3-ethyl-3-methylpyrrolidine-2,5-dione;hydride.
What is the SMILES notation for calcium;3-ethyl-3-methylpyrrolidine-2,5-dione;hydride?
The canonical SMILES for calcium;3-ethyl-3-methylpyrrolidine-2,5-dione;hydride is CCC1(C)CC(=O)NC1=O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;3-ethyl-3-methylpyrrolidine-2,5-dione;hydride?
The InChIKey is WRMMGMFGFSYEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.Ca.2H/c1-3-7(2)4-5(9)8-6(7)10;;;/h3-4H2,1-2H3,(H,8,9,10);;;/q;+2;2*-1.
What are the key properties of calcium;3-ethyl-3-methylpyrrolidine-2,5-dione;hydride?
calcium;3-ethyl-3-methylpyrrolidine-2,5-dione;hydride has a molecular weight of 183.26 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;3-ethyl-3-methylpyrrolidine-2,5-dione;hydride is sourced from PubChem (CID 173338216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).