1,3-bis(hydroxymethyl)-2-methoxy-5,5-dimethylimidazolidin-4-one

C8H16N2O4 — CID 123587839

IUPAC1,3-bis(hydroxymethyl)-2-methoxy-5,5-dimethylimidazolidin-4-one
SMILESCOC1N(CO)C(=O)C(C)(C)N1CO
InChIInChI=1S/C8H16N2O4/c1-8(2)6(13)9(4-11)7(14-3)10(8)5-12/h7,11-12H,4-5H2,1-3H3
InChIKeyOFSXRUHFPUETDW-UHFFFAOYSA-N
MW204.23 g/mol
LogP-1.26
Rot. Bonds3

About 1,3-bis(hydroxymethyl)-2-methoxy-5,5-dimethylimidazolidin-4-one

1,3-bis(hydroxymethyl)-2-methoxy-5,5-dimethylimidazolidin-4-one (PubChem CID 123587839) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1,3-bis(hydroxymethyl)-2-methoxy-5,5-dimethylimidazolidin-4-one.

Molecular Properties

Compound Name1,3-bis(hydroxymethyl)-2-methoxy-5,5-dimethylimidazolidin-4-one
PubChem CID123587839
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name1,3-bis(hydroxymethyl)-2-methoxy-5,5-dimethylimidazolidin-4-one
SMILESCOC1N(CO)C(=O)C(C)(C)N1CO
InChIInChI=1S/C8H16N2O4/c1-8(2)6(13)9(4-11)7(14-3)10(8)5-12/h7,11-12H,4-5H2,1-3H3
InChIKeyOFSXRUHFPUETDW-UHFFFAOYSA-N
XLogP-1.26
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dihydroxy-1-(hydroxymethyl)-3-methoxyimidazolidin-2-one
CID 89213333
methyl 1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate
CID 13458635
3-[bis(hydroxymethoxy)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 173212284
1-(hydroxymethyl)-4-methylazetidin-2-one
CID 163686029
3-butyl-1-(hydroxymethyl)-4-phenylazetidin-2-one
CID 11776163
1-(2-methoxyethyl)-3,3,7-trimethyl-1,4-diazepane-2,5-dione
CID 64883200
(3aS,6aR)-3,4,6-tris(hydroxymethyl)-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 1254938
1,3-bis(hydroxymethoxy)-5,5-dimethylimidazolidine-2,4-dione
CID 174913705
methyl (3R,4S)-1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 10469773
3-(2-hydroxyethyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64836115
1-(hydroxymethyl)-5,5-dimethylpyrrolidin-2-one
CID 140856572
6-tert-butyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione
CID 104650381

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(hydroxymethyl)-2-methoxy-5,5-dimethylimidazolidin-4-one?
The IUPAC name of 1,3-bis(hydroxymethyl)-2-methoxy-5,5-dimethylimidazolidin-4-one (CID 123587839) is 1,3-bis(hydroxymethyl)-2-methoxy-5,5-dimethylimidazolidin-4-one.
What is the SMILES notation for 1,3-bis(hydroxymethyl)-2-methoxy-5,5-dimethylimidazolidin-4-one?
The canonical SMILES for 1,3-bis(hydroxymethyl)-2-methoxy-5,5-dimethylimidazolidin-4-one is COC1N(CO)C(=O)C(C)(C)N1CO.
What is the InChIKey of 1,3-bis(hydroxymethyl)-2-methoxy-5,5-dimethylimidazolidin-4-one?
The InChIKey is OFSXRUHFPUETDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-8(2)6(13)9(4-11)7(14-3)10(8)5-12/h7,11-12H,4-5H2,1-3H3.
What are the key properties of 1,3-bis(hydroxymethyl)-2-methoxy-5,5-dimethylimidazolidin-4-one?
1,3-bis(hydroxymethyl)-2-methoxy-5,5-dimethylimidazolidin-4-one has a molecular weight of 204.23 g/mol, XLogP of -1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(hydroxymethyl)-2-methoxy-5,5-dimethylimidazolidin-4-one is sourced from PubChem (CID 123587839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).