3,3-diethyl-1-(5-iodo-2-pyridinyl)pyrrolidine-2,5-dione

C13H15IN2O2 — CID 65100869

IUPAC3,3-diethyl-1-(5-iodo-2-pyridinyl)pyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(c2ccc(I)cn2)C1=O
InChIInChI=1S/C13H15IN2O2/c1-3-13(4-2)7-11(17)16(12(13)18)10-6-5-9(14)8-15-10/h5-6,8H,3-4,7H2,1-2H3
InChIKeyNTEMTTCIRMXIGT-UHFFFAOYSA-N
MW358.18 g/mol
LogP2.76
Rot. Bonds3

About 3,3-diethyl-1-(5-iodo-2-pyridinyl)pyrrolidine-2,5-dione

3,3-diethyl-1-(5-iodo-2-pyridinyl)pyrrolidine-2,5-dione (PubChem CID 65100869) has the molecular formula C13H15IN2O2 and a molecular weight of 358.18 g/mol. Its IUPAC name is 3,3-diethyl-1-(5-iodo-2-pyridinyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-(5-iodo-2-pyridinyl)pyrrolidine-2,5-dione
PubChem CID65100869
Molecular FormulaC13H15IN2O2
Molecular Weight358.18 g/mol
Exact Mass358.02
IUPAC Name3,3-diethyl-1-(5-iodo-2-pyridinyl)pyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(c2ccc(I)cn2)C1=O
InChIInChI=1S/C13H15IN2O2/c1-3-13(4-2)7-11(17)16(12(13)18)10-6-5-9(14)8-15-10/h5-6,8H,3-4,7H2,1-2H3
InChIKeyNTEMTTCIRMXIGT-UHFFFAOYSA-N
XLogP2.76
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(5-iodo-2-pyridinyl)pyrrolidine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-(5-iodo-2-pyridinyl)pyrrolidine-2,5-dione (CID 65100869) is 3,3-diethyl-1-(5-iodo-2-pyridinyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-(5-iodo-2-pyridinyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-(5-iodo-2-pyridinyl)pyrrolidine-2,5-dione is CCC1(CC)CC(=O)N(c2ccc(I)cn2)C1=O.
What is the InChIKey of 3,3-diethyl-1-(5-iodo-2-pyridinyl)pyrrolidine-2,5-dione?
The InChIKey is NTEMTTCIRMXIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN2O2/c1-3-13(4-2)7-11(17)16(12(13)18)10-6-5-9(14)8-15-10/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 3,3-diethyl-1-(5-iodo-2-pyridinyl)pyrrolidine-2,5-dione?
3,3-diethyl-1-(5-iodo-2-pyridinyl)pyrrolidine-2,5-dione has a molecular weight of 358.18 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(5-iodo-2-pyridinyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 65100869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).