3-(5-chloro-3-oxopentyl)-5,5-dimethylimidazolidine-2,4-dione

C10H15ClN2O3 — CID 21493759

IUPAC3-(5-chloro-3-oxopentyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCC(=O)CCCl)C1=O
InChIInChI=1S/C10H15ClN2O3/c1-10(2)8(15)13(9(16)12-10)6-4-7(14)3-5-11/h3-6H2,1-2H3,(H,12,16)
InChIKeyTVMNZAYVDIESRV-UHFFFAOYSA-N
MW246.69 g/mol
LogP0.90
Rot. Bonds5

About 3-(5-chloro-3-oxopentyl)-5,5-dimethylimidazolidine-2,4-dione

3-(5-chloro-3-oxopentyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 21493759) has the molecular formula C10H15ClN2O3 and a molecular weight of 246.69 g/mol. Its IUPAC name is 3-(5-chloro-3-oxopentyl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(5-chloro-3-oxopentyl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID21493759
Molecular FormulaC10H15ClN2O3
Molecular Weight246.69 g/mol
Exact Mass246.08
IUPAC Name3-(5-chloro-3-oxopentyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCC(=O)CCCl)C1=O
InChIInChI=1S/C10H15ClN2O3/c1-10(2)8(15)13(9(16)12-10)6-4-7(14)3-5-11/h3-6H2,1-2H3,(H,12,16)
InChIKeyTVMNZAYVDIESRV-UHFFFAOYSA-N
XLogP0.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide
CID 60656567
5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
CID 28971868
propan-2-yl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 112722968
2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl-methylamino]acetic acid
CID 43171118
3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 131132087
3-(bromomethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 12847944
(2S)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]propanoic acid
CID 93263187
5,5-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione
CID 60655462
3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]propanoic acid
CID 43466330
3-(2-aminoethyl)-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
CID 14008501
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103825428
3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43393443

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-oxopentyl)-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-(5-chloro-3-oxopentyl)-5,5-dimethylimidazolidine-2,4-dione (CID 21493759) is 3-(5-chloro-3-oxopentyl)-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(5-chloro-3-oxopentyl)-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-(5-chloro-3-oxopentyl)-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCC(=O)CCCl)C1=O.
What is the InChIKey of 3-(5-chloro-3-oxopentyl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is TVMNZAYVDIESRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3/c1-10(2)8(15)13(9(16)12-10)6-4-7(14)3-5-11/h3-6H2,1-2H3,(H,12,16).
What are the key properties of 3-(5-chloro-3-oxopentyl)-5,5-dimethylimidazolidine-2,4-dione?
3-(5-chloro-3-oxopentyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 246.69 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-oxopentyl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 21493759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).