iodozinc(1+);(5R)-5-methanidylpyrrolidin-2-one

C5H8INOZn — CID 11000778

IUPACiodozinc(1+);(5R)-5-methanidylpyrrolidin-2-one
SMILES[CH2-][C@@H]1CCC(=O)N1.[Zn+]I
InChIInChI=1S/C5H8NO.HI.Zn/c1-4-2-3-5(7)6-4;;/h4H,1-3H2,(H,6,7);1H;/q-1;;+2/p-1/t4-;;/m1../s1
InChIKeyGAXOBACYAUXZEJ-RZFWHQLPSA-M
MW290.42 g/mol
LogP0.98
Rot. Bonds

About iodozinc(1+);(5R)-5-methanidylpyrrolidin-2-one

iodozinc(1+);(5R)-5-methanidylpyrrolidin-2-one (PubChem CID 11000778) has the molecular formula C5H8INOZn and a molecular weight of 290.42 g/mol. Its IUPAC name is iodozinc(1+);(5R)-5-methanidylpyrrolidin-2-one.

Molecular Properties

Compound Nameiodozinc(1+);(5R)-5-methanidylpyrrolidin-2-one
PubChem CID11000778
Molecular FormulaC5H8INOZn
Molecular Weight290.42 g/mol
Exact Mass288.89
IUPAC Nameiodozinc(1+);(5R)-5-methanidylpyrrolidin-2-one
SMILES[CH2-][C@@H]1CCC(=O)N1.[Zn+]I
InChIInChI=1S/C5H8NO.HI.Zn/c1-4-2-3-5(7)6-4;;/h4H,1-3H2,(H,6,7);1H;/q-1;;+2/p-1/t4-;;/m1../s1
InChIKeyGAXOBACYAUXZEJ-RZFWHQLPSA-M
XLogP0.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iodozinc(1+);(5R)-5-methanidylpyrrolidin-2-one?
The IUPAC name of iodozinc(1+);(5R)-5-methanidylpyrrolidin-2-one (CID 11000778) is iodozinc(1+);(5R)-5-methanidylpyrrolidin-2-one.
What is the SMILES notation for iodozinc(1+);(5R)-5-methanidylpyrrolidin-2-one?
The canonical SMILES for iodozinc(1+);(5R)-5-methanidylpyrrolidin-2-one is [CH2-][C@@H]1CCC(=O)N1.[Zn+]I.
What is the InChIKey of iodozinc(1+);(5R)-5-methanidylpyrrolidin-2-one?
The InChIKey is GAXOBACYAUXZEJ-RZFWHQLPSA-M. The full InChI is InChI=1S/C5H8NO.HI.Zn/c1-4-2-3-5(7)6-4;;/h4H,1-3H2,(H,6,7);1H;/q-1;;+2/p-1/t4-;;/m1../s1.
What are the key properties of iodozinc(1+);(5R)-5-methanidylpyrrolidin-2-one?
iodozinc(1+);(5R)-5-methanidylpyrrolidin-2-one has a molecular weight of 290.42 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iodozinc(1+);(5R)-5-methanidylpyrrolidin-2-one is sourced from PubChem (CID 11000778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).