3-tert-butyl-1-(1-iodoethyl)pyrrolidine-2,5-dione

C10H16INO2 — CID 129029408

IUPAC3-tert-butyl-1-(1-iodoethyl)pyrrolidine-2,5-dione
SMILESCC(I)N1C(=O)CC(C(C)(C)C)C1=O
InChIInChI=1S/C10H16INO2/c1-6(11)12-8(13)5-7(9(12)14)10(2,3)4/h6-7H,5H2,1-4H3
InChIKeyYMRRILAYNUHWLJ-UHFFFAOYSA-N
MW309.15 g/mol
LogP2.19
Rot. Bonds1

About 3-tert-butyl-1-(1-iodoethyl)pyrrolidine-2,5-dione

3-tert-butyl-1-(1-iodoethyl)pyrrolidine-2,5-dione (PubChem CID 129029408) has the molecular formula C10H16INO2 and a molecular weight of 309.15 g/mol. Its IUPAC name is 3-tert-butyl-1-(1-iodoethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-(1-iodoethyl)pyrrolidine-2,5-dione
PubChem CID129029408
Molecular FormulaC10H16INO2
Molecular Weight309.15 g/mol
Exact Mass309.02
IUPAC Name3-tert-butyl-1-(1-iodoethyl)pyrrolidine-2,5-dione
SMILESCC(I)N1C(=O)CC(C(C)(C)C)C1=O
InChIInChI=1S/C10H16INO2/c1-6(11)12-8(13)5-7(9(12)14)10(2,3)4/h6-7H,5H2,1-4H3
InChIKeyYMRRILAYNUHWLJ-UHFFFAOYSA-N
XLogP2.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(1-iodoethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-(1-iodoethyl)pyrrolidine-2,5-dione (CID 129029408) is 3-tert-butyl-1-(1-iodoethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-(1-iodoethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-(1-iodoethyl)pyrrolidine-2,5-dione is CC(I)N1C(=O)CC(C(C)(C)C)C1=O.
What is the InChIKey of 3-tert-butyl-1-(1-iodoethyl)pyrrolidine-2,5-dione?
The InChIKey is YMRRILAYNUHWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16INO2/c1-6(11)12-8(13)5-7(9(12)14)10(2,3)4/h6-7H,5H2,1-4H3.
What are the key properties of 3-tert-butyl-1-(1-iodoethyl)pyrrolidine-2,5-dione?
3-tert-butyl-1-(1-iodoethyl)pyrrolidine-2,5-dione has a molecular weight of 309.15 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(1-iodoethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 129029408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).