3-(3-bromopropyl)imidazolidine-2,4-dione;pyrrolidine-2,4-dione

C10H14BrN3O4 — CID 157477875

IUPAC3-(3-bromopropyl)imidazolidine-2,4-dione;pyrrolidine-2,4-dione
SMILESO=C1CNC(=O)C1.O=C1CNC(=O)N1CCCBr
InChIInChI=1S/C6H9BrN2O2.C4H5NO2/c7-2-1-3-9-5(10)4-8-6(9)11;6-3-1-4(7)5-2-3/h1-4H2,(H,8,11);1-2H2,(H,5,7)
InChIKeyBVUQVOSZXJHMTC-UHFFFAOYSA-N
MW320.14 g/mol
LogP-0.60
Rot. Bonds3

About 3-(3-bromopropyl)imidazolidine-2,4-dione;pyrrolidine-2,4-dione

3-(3-bromopropyl)imidazolidine-2,4-dione;pyrrolidine-2,4-dione (PubChem CID 157477875) has the molecular formula C10H14BrN3O4 and a molecular weight of 320.14 g/mol. Its IUPAC name is 3-(3-bromopropyl)imidazolidine-2,4-dione;pyrrolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-bromopropyl)imidazolidine-2,4-dione;pyrrolidine-2,4-dione
PubChem CID157477875
Molecular FormulaC10H14BrN3O4
Molecular Weight320.14 g/mol
Exact Mass319.02
IUPAC Name3-(3-bromopropyl)imidazolidine-2,4-dione;pyrrolidine-2,4-dione
SMILESO=C1CNC(=O)C1.O=C1CNC(=O)N1CCCBr
InChIInChI=1S/C6H9BrN2O2.C4H5NO2/c7-2-1-3-9-5(10)4-8-6(9)11;6-3-1-4(7)5-2-3/h1-4H2,(H,8,11);1-2H2,(H,5,7)
InChIKeyBVUQVOSZXJHMTC-UHFFFAOYSA-N
XLogP-0.60
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.14
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromopropyl)imidazolidine-2,4-dione;pyrrolidine-2,4-dione?
The IUPAC name of 3-(3-bromopropyl)imidazolidine-2,4-dione;pyrrolidine-2,4-dione (CID 157477875) is 3-(3-bromopropyl)imidazolidine-2,4-dione;pyrrolidine-2,4-dione.
What is the SMILES notation for 3-(3-bromopropyl)imidazolidine-2,4-dione;pyrrolidine-2,4-dione?
The canonical SMILES for 3-(3-bromopropyl)imidazolidine-2,4-dione;pyrrolidine-2,4-dione is O=C1CNC(=O)C1.O=C1CNC(=O)N1CCCBr.
What is the InChIKey of 3-(3-bromopropyl)imidazolidine-2,4-dione;pyrrolidine-2,4-dione?
The InChIKey is BVUQVOSZXJHMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2O2.C4H5NO2/c7-2-1-3-9-5(10)4-8-6(9)11;6-3-1-4(7)5-2-3/h1-4H2,(H,8,11);1-2H2,(H,5,7).
What are the key properties of 3-(3-bromopropyl)imidazolidine-2,4-dione;pyrrolidine-2,4-dione?
3-(3-bromopropyl)imidazolidine-2,4-dione;pyrrolidine-2,4-dione has a molecular weight of 320.14 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromopropyl)imidazolidine-2,4-dione;pyrrolidine-2,4-dione is sourced from PubChem (CID 157477875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).