4-(4-iodobutyl)-3,3-dimethylpyrrolidine-2,5-dione

C10H16INO2 — CID 134993148

IUPAC4-(4-iodobutyl)-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)C(=O)NC(=O)C1CCCCI
InChIInChI=1S/C10H16INO2/c1-10(2)7(5-3-4-6-11)8(13)12-9(10)14/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyFMBGNFFISNJGHD-UHFFFAOYSA-N
MW309.15 g/mol
LogP1.89
Rot. Bonds4

About 4-(4-iodobutyl)-3,3-dimethylpyrrolidine-2,5-dione

4-(4-iodobutyl)-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 134993148) has the molecular formula C10H16INO2 and a molecular weight of 309.15 g/mol. Its IUPAC name is 4-(4-iodobutyl)-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name4-(4-iodobutyl)-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID134993148
Molecular FormulaC10H16INO2
Molecular Weight309.15 g/mol
Exact Mass309.02
IUPAC Name4-(4-iodobutyl)-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)C(=O)NC(=O)C1CCCCI
InChIInChI=1S/C10H16INO2/c1-10(2)7(5-3-4-6-11)8(13)12-9(10)14/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyFMBGNFFISNJGHD-UHFFFAOYSA-N
XLogP1.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 4-(4-iodobutyl)-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 4-(4-iodobutyl)-3,3-dimethylpyrrolidine-2,5-dione (CID 134993148) is 4-(4-iodobutyl)-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 4-(4-iodobutyl)-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 4-(4-iodobutyl)-3,3-dimethylpyrrolidine-2,5-dione is CC1(C)C(=O)NC(=O)C1CCCCI.
What is the InChIKey of 4-(4-iodobutyl)-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is FMBGNFFISNJGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16INO2/c1-10(2)7(5-3-4-6-11)8(13)12-9(10)14/h7H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 4-(4-iodobutyl)-3,3-dimethylpyrrolidine-2,5-dione?
4-(4-iodobutyl)-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 309.15 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodobutyl)-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 134993148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).