butyl 1-iodopropyl carbonate;imidazolidine-2,4-dione

C11H19IN2O5 — CID 68980973

IUPACbutyl 1-iodopropyl carbonate;imidazolidine-2,4-dione
SMILESCCCCOC(=O)OC(I)CC.O=C1CNC(=O)N1
InChIInChI=1S/C8H15IO3.C3H4N2O2/c1-3-5-6-11-8(10)12-7(9)4-2;6-2-1-4-3(7)5-2/h7H,3-6H2,1-2H3;1H2,(H2,4,5,6,7)
InChIKeyLOLOHTNVJPHHRM-UHFFFAOYSA-N
MW386.19 g/mol
LogP1.94
Rot. Bonds5

About butyl 1-iodopropyl carbonate;imidazolidine-2,4-dione

butyl 1-iodopropyl carbonate;imidazolidine-2,4-dione (PubChem CID 68980973) has the molecular formula C11H19IN2O5 and a molecular weight of 386.19 g/mol. Its IUPAC name is butyl 1-iodopropyl carbonate;imidazolidine-2,4-dione.

Molecular Properties

Compound Namebutyl 1-iodopropyl carbonate;imidazolidine-2,4-dione
PubChem CID68980973
Molecular FormulaC11H19IN2O5
Molecular Weight386.19 g/mol
Exact Mass386.03
IUPAC Namebutyl 1-iodopropyl carbonate;imidazolidine-2,4-dione
SMILESCCCCOC(=O)OC(I)CC.O=C1CNC(=O)N1
InChIInChI=1S/C8H15IO3.C3H4N2O2/c1-3-5-6-11-8(10)12-7(9)4-2;6-2-1-4-3(7)5-2/h7H,3-6H2,1-2H3;1H2,(H2,4,5,6,7)
InChIKeyLOLOHTNVJPHHRM-UHFFFAOYSA-N
XLogP1.94
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.19
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze butyl 1-iodopropyl carbonate;imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butyl 1-iodopropyl carbonate;imidazolidine-2,4-dione?
The IUPAC name of butyl 1-iodopropyl carbonate;imidazolidine-2,4-dione (CID 68980973) is butyl 1-iodopropyl carbonate;imidazolidine-2,4-dione.
What is the SMILES notation for butyl 1-iodopropyl carbonate;imidazolidine-2,4-dione?
The canonical SMILES for butyl 1-iodopropyl carbonate;imidazolidine-2,4-dione is CCCCOC(=O)OC(I)CC.O=C1CNC(=O)N1.
What is the InChIKey of butyl 1-iodopropyl carbonate;imidazolidine-2,4-dione?
The InChIKey is LOLOHTNVJPHHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15IO3.C3H4N2O2/c1-3-5-6-11-8(10)12-7(9)4-2;6-2-1-4-3(7)5-2/h7H,3-6H2,1-2H3;1H2,(H2,4,5,6,7).
What are the key properties of butyl 1-iodopropyl carbonate;imidazolidine-2,4-dione?
butyl 1-iodopropyl carbonate;imidazolidine-2,4-dione has a molecular weight of 386.19 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 1-iodopropyl carbonate;imidazolidine-2,4-dione is sourced from PubChem (CID 68980973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).