3-(2-chloroethyl)-5-propylimidazolidine-2,4-dione

C8H13ClN2O2 — CID 43135563

IUPAC3-(2-chloroethyl)-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(CCCl)C1=O
InChIInChI=1S/C8H13ClN2O2/c1-2-3-6-7(12)11(5-4-9)8(13)10-6/h6H,2-5H2,1H3,(H,10,13)
InChIKeyHEDGKQPGZPHSCW-UHFFFAOYSA-N
MW204.66 g/mol
LogP0.95
Rot. Bonds4

About 3-(2-chloroethyl)-5-propylimidazolidine-2,4-dione

3-(2-chloroethyl)-5-propylimidazolidine-2,4-dione (PubChem CID 43135563) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 3-(2-chloroethyl)-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-chloroethyl)-5-propylimidazolidine-2,4-dione
PubChem CID43135563
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name3-(2-chloroethyl)-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(CCCl)C1=O
InChIInChI=1S/C8H13ClN2O2/c1-2-3-6-7(12)11(5-4-9)8(13)10-6/h6H,2-5H2,1H3,(H,10,13)
InChIKeyHEDGKQPGZPHSCW-UHFFFAOYSA-N
XLogP0.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-5-propylimidazolidine-2,4-dione?
The IUPAC name of 3-(2-chloroethyl)-5-propylimidazolidine-2,4-dione (CID 43135563) is 3-(2-chloroethyl)-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-chloroethyl)-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2-chloroethyl)-5-propylimidazolidine-2,4-dione is CCCC1NC(=O)N(CCCl)C1=O.
What is the InChIKey of 3-(2-chloroethyl)-5-propylimidazolidine-2,4-dione?
The InChIKey is HEDGKQPGZPHSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2/c1-2-3-6-7(12)11(5-4-9)8(13)10-6/h6H,2-5H2,1H3,(H,10,13).
What are the key properties of 3-(2-chloroethyl)-5-propylimidazolidine-2,4-dione?
3-(2-chloroethyl)-5-propylimidazolidine-2,4-dione has a molecular weight of 204.66 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 43135563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).