3-(3-chloropropyl)-5,5-dimethylimidazolidine-2,4-dione

C8H13ClN2O2 — CID 10655825

IUPAC3-(3-chloropropyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCCl)C1=O
InChIInChI=1S/C8H13ClN2O2/c1-8(2)6(12)11(5-3-4-9)7(13)10-8/h3-5H2,1-2H3,(H,10,13)
InChIKeyLCZJREYWIOXGGW-UHFFFAOYSA-N
MW204.66 g/mol
LogP0.95
Rot. Bonds3

About 3-(3-chloropropyl)-5,5-dimethylimidazolidine-2,4-dione

3-(3-chloropropyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 10655825) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 3-(3-chloropropyl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-chloropropyl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID10655825
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name3-(3-chloropropyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCCl)C1=O
InChIInChI=1S/C8H13ClN2O2/c1-8(2)6(12)11(5-3-4-9)7(13)10-8/h3-5H2,1-2H3,(H,10,13)
InChIKeyLCZJREYWIOXGGW-UHFFFAOYSA-N
XLogP0.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

3-Ethyl-5,5-dimethylimidazolidine-2,4-dione
CID 588189
3-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)propanenitrile
CID 597160
Hydantoin, 3-(3-chloromethoxypropyl)-5,5-dimethyl-
CID 44699
3-(2-(Diethylamino)ethyl)-5,5-dimethylhydantoin
CID 3028666
3-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride
CID 155562366
3-(2-Chloroethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 298085
3-[2-[Bis(2-chloroethyl)amino]ethyl]-5,5-diethylimidazolidine-2,4-dione;hydrochloride
CID 24194728
3-(2-(Dimethylamino)ethyl)-5,5-dimethylhydantoin
CID 298086
2-(5,5-Dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide
CID 54593779
3-(2-Chloroethyl)-5-methylimidazolidine-2,4-dione
CID 121553200
3-(3-Aminopropyl)-5,5-dimethylimidazolidine-2,4-dione hydrochloride
CID 132398441
5,5-Dimethyl-1,3-di-(2-chloroethyl) hydantoin
CID 53809673

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloropropyl)-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-(3-chloropropyl)-5,5-dimethylimidazolidine-2,4-dione (CID 10655825) is 3-(3-chloropropyl)-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-chloropropyl)-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3-chloropropyl)-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCCCl)C1=O.
What is the InChIKey of 3-(3-chloropropyl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is LCZJREYWIOXGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2/c1-8(2)6(12)11(5-3-4-9)7(13)10-8/h3-5H2,1-2H3,(H,10,13).
What are the key properties of 3-(3-chloropropyl)-5,5-dimethylimidazolidine-2,4-dione?
3-(3-chloropropyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 204.66 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloropropyl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 10655825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).