N,N-dimethylformamide;1-iodopyrrolidine-2,5-dione

C7H11IN2O3 — CID 86598967

IUPACN,N-dimethylformamide;1-iodopyrrolidine-2,5-dione
SMILESCN(C)C=O.O=C1CCC(=O)N1I
InChIInChI=1S/C4H4INO2.C3H7NO/c5-6-3(7)1-2-4(6)8;1-4(2)3-5/h1-2H2;3H,1-2H3
InChIKeyUUVNLMYEDNTCGZ-UHFFFAOYSA-N
MW298.08 g/mol
LogP0.19
Rot. Bonds1

About N,N-dimethylformamide;1-iodopyrrolidine-2,5-dione

N,N-dimethylformamide;1-iodopyrrolidine-2,5-dione (PubChem CID 86598967) has the molecular formula C7H11IN2O3 and a molecular weight of 298.08 g/mol. Its IUPAC name is N,N-dimethylformamide;1-iodopyrrolidine-2,5-dione.

Molecular Properties

Compound NameN,N-dimethylformamide;1-iodopyrrolidine-2,5-dione
PubChem CID86598967
Molecular FormulaC7H11IN2O3
Molecular Weight298.08 g/mol
Exact Mass297.98
IUPAC NameN,N-dimethylformamide;1-iodopyrrolidine-2,5-dione
SMILESCN(C)C=O.O=C1CCC(=O)N1I
InChIInChI=1S/C4H4INO2.C3H7NO/c5-6-3(7)1-2-4(6)8;1-4(2)3-5/h1-2H2;3H,1-2H3
InChIKeyUUVNLMYEDNTCGZ-UHFFFAOYSA-N
XLogP0.19
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.08
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;1-iodopyrrolidine-2,5-dione?
The IUPAC name of N,N-dimethylformamide;1-iodopyrrolidine-2,5-dione (CID 86598967) is N,N-dimethylformamide;1-iodopyrrolidine-2,5-dione.
What is the SMILES notation for N,N-dimethylformamide;1-iodopyrrolidine-2,5-dione?
The canonical SMILES for N,N-dimethylformamide;1-iodopyrrolidine-2,5-dione is CN(C)C=O.O=C1CCC(=O)N1I.
What is the InChIKey of N,N-dimethylformamide;1-iodopyrrolidine-2,5-dione?
The InChIKey is UUVNLMYEDNTCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4INO2.C3H7NO/c5-6-3(7)1-2-4(6)8;1-4(2)3-5/h1-2H2;3H,1-2H3.
What are the key properties of N,N-dimethylformamide;1-iodopyrrolidine-2,5-dione?
N,N-dimethylformamide;1-iodopyrrolidine-2,5-dione has a molecular weight of 298.08 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;1-iodopyrrolidine-2,5-dione is sourced from PubChem (CID 86598967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).