zinc bis(2-oxopyrrolidine-1-carboxylate)

C10H12N2O6Zn — CID 22183105

IUPACzinc bis(2-oxopyrrolidine-1-carboxylate)
SMILESO=C([O-])N1CCCC1=O.O=C([O-])N1CCCC1=O.[Zn+2]
InChIInChI=1S/2C5H7NO3.Zn/c2*7-4-2-1-3-6(4)5(8)9;/h2*1-3H2,(H,8,9);/q;;+2/p-2
InChIKeyCHCZPSBPZFXDQJ-UHFFFAOYSA-L
MW321.60 g/mol
LogP-2.10
Rot. Bonds

About zinc bis(2-oxopyrrolidine-1-carboxylate)

zinc bis(2-oxopyrrolidine-1-carboxylate) (PubChem CID 22183105) has the molecular formula C10H12N2O6Zn and a molecular weight of 321.60 g/mol. Its IUPAC name is zinc bis(2-oxopyrrolidine-1-carboxylate).

Molecular Properties

Compound Namezinc bis(2-oxopyrrolidine-1-carboxylate)
PubChem CID22183105
Molecular FormulaC10H12N2O6Zn
Molecular Weight321.60 g/mol
Exact Mass320.00
IUPAC Namezinc bis(2-oxopyrrolidine-1-carboxylate)
SMILESO=C([O-])N1CCCC1=O.O=C([O-])N1CCCC1=O.[Zn+2]
InChIInChI=1S/2C5H7NO3.Zn/c2*7-4-2-1-3-6(4)5(8)9;/h2*1-3H2,(H,8,9);/q;;+2/p-2
InChIKeyCHCZPSBPZFXDQJ-UHFFFAOYSA-L
XLogP-2.10
TPSA120.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.60
LogP ≤ 5-2.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

potassium 2-oxopyrrolidine-1-carboxylate
CID 23675141
sodium;2-oxopyrrolidine-1-carboxylate;hydrate
CID 139621831
2-oxopyrrolidine-1-carboxylic acid;zinc
CID 174972169
N-methyl-2-oxopyrrolidine-1-carboxamide
CID 18176273
1-(1-aminoethenyl)pyrrolidin-2-one
CID 18740015
1-(2-oxopiperidine-1-carbonyl)piperidin-2-one
CID 18425054
2-oxopyrrolidine-1-carboxylic acid;urea
CID 158320427
3-oxo-3-(2-oxopyrrolidin-1-yl)propanamide
CID 174751392
3-methyl-2-(2-oxopyrrolidin-1-yl)but-2-enoic acid
CID 68816336
1-(2-aminoacetyl)pyrrolidin-2-one
CID 55208573
2-oxo-N-(1,2,2-trichloroethenyl)pyrrolidine-1-carboxamide
CID 2776871
1-acetylazonan-2-one
CID 19035113

Frequently Asked Questions

What is the IUPAC name of zinc bis(2-oxopyrrolidine-1-carboxylate)?
The IUPAC name of zinc bis(2-oxopyrrolidine-1-carboxylate) (CID 22183105) is zinc bis(2-oxopyrrolidine-1-carboxylate).
What is the SMILES notation for zinc bis(2-oxopyrrolidine-1-carboxylate)?
The canonical SMILES for zinc bis(2-oxopyrrolidine-1-carboxylate) is O=C([O-])N1CCCC1=O.O=C([O-])N1CCCC1=O.[Zn+2].
What is the InChIKey of zinc bis(2-oxopyrrolidine-1-carboxylate)?
The InChIKey is CHCZPSBPZFXDQJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H7NO3.Zn/c2*7-4-2-1-3-6(4)5(8)9;/h2*1-3H2,(H,8,9);/q;;+2/p-2.
What are the key properties of zinc bis(2-oxopyrrolidine-1-carboxylate)?
zinc bis(2-oxopyrrolidine-1-carboxylate) has a molecular weight of 321.60 g/mol, XLogP of -2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(2-oxopyrrolidine-1-carboxylate) is sourced from PubChem (CID 22183105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).