3-(2-hydroxy-2-methylpropyl)-1-methylimidazolidine-2,4-dione

C8H14N2O3 — CID 83817541

IUPAC3-(2-hydroxy-2-methylpropyl)-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CC(C)(C)O)C1=O
InChIInChI=1S/C8H14N2O3/c1-8(2,13)5-10-6(11)4-9(3)7(10)12/h13H,4-5H2,1-3H3
InChIKeyIWUVZCRUJGCHGH-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.35
Rot. Bonds2

About 3-(2-hydroxy-2-methylpropyl)-1-methylimidazolidine-2,4-dione

3-(2-hydroxy-2-methylpropyl)-1-methylimidazolidine-2,4-dione (PubChem CID 83817541) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-(2-hydroxy-2-methylpropyl)-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxy-2-methylpropyl)-1-methylimidazolidine-2,4-dione
PubChem CID83817541
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name3-(2-hydroxy-2-methylpropyl)-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CC(C)(C)O)C1=O
InChIInChI=1S/C8H14N2O3/c1-8(2,13)5-10-6(11)4-9(3)7(10)12/h13H,4-5H2,1-3H3
InChIKeyIWUVZCRUJGCHGH-UHFFFAOYSA-N
XLogP-0.35
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-3-methylbutyl)-1-methylimidazolidine-2,4-dione
CID 83819144
ethane;3-ethyl-1-methylimidazolidine-2,4-dione
CID 142101907
2,2-dimethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanethioamide
CID 65248880
3-[2-(bromomethyl)-2-propylpentyl]-1-methylimidazolidine-2,4-dione
CID 65006074
3-(2-fluoroethyl)-1-methylimidazolidine-2,4-dione
CID 127013693
3-[2-(2,2-dimethylpropoxy)ethyl]-1-methylimidazolidine-2,4-dione
CID 21027116
1-(2-hydroxy-2-methylpropyl)-3-methyl-1,3-diazinan-2-one
CID 83817589
3-(3-bromopropyl)-1-methylimidazolidine-2,4-dione
CID 43135403
3-(2-hydroxy-2-methylpropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64834936
3-(3-chloropropyl)-1-methylimidazolidine-2,4-dione
CID 28824124
2-methyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]pentanoic acid
CID 43619005
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]butanamide
CID 82725201

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2-methylpropyl)-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(2-hydroxy-2-methylpropyl)-1-methylimidazolidine-2,4-dione (CID 83817541) is 3-(2-hydroxy-2-methylpropyl)-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-hydroxy-2-methylpropyl)-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2-hydroxy-2-methylpropyl)-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(CC(C)(C)O)C1=O.
What is the InChIKey of 3-(2-hydroxy-2-methylpropyl)-1-methylimidazolidine-2,4-dione?
The InChIKey is IWUVZCRUJGCHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-8(2,13)5-10-6(11)4-9(3)7(10)12/h13H,4-5H2,1-3H3.
What are the key properties of 3-(2-hydroxy-2-methylpropyl)-1-methylimidazolidine-2,4-dione?
3-(2-hydroxy-2-methylpropyl)-1-methylimidazolidine-2,4-dione has a molecular weight of 186.21 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2-methylpropyl)-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 83817541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).