1,3-bis(hydroxymethoxy)-5,5-dimethylimidazolidine-2,4-dione

C7H12N2O6 — CID 174913705

IUPAC1,3-bis(hydroxymethoxy)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(OCO)C(=O)N1OCO
InChIInChI=1S/C7H12N2O6/c1-7(2)5(12)8(14-3-10)6(13)9(7)15-4-11/h10-11H,3-4H2,1-2H3
InChIKeySPGIBJJMLUJJDB-UHFFFAOYSA-N
MW220.18 g/mol
LogP-1.21
Rot. Bonds4

About 1,3-bis(hydroxymethoxy)-5,5-dimethylimidazolidine-2,4-dione

1,3-bis(hydroxymethoxy)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 174913705) has the molecular formula C7H12N2O6 and a molecular weight of 220.18 g/mol. Its IUPAC name is 1,3-bis(hydroxymethoxy)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis(hydroxymethoxy)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID174913705
Molecular FormulaC7H12N2O6
Molecular Weight220.18 g/mol
Exact Mass220.07
IUPAC Name1,3-bis(hydroxymethoxy)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(OCO)C(=O)N1OCO
InChIInChI=1S/C7H12N2O6/c1-7(2)5(12)8(14-3-10)6(13)9(7)15-4-11/h10-11H,3-4H2,1-2H3
InChIKeySPGIBJJMLUJJDB-UHFFFAOYSA-N
XLogP-1.21
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1,3-diethoxy-5,5-dimethylimidazolidine-2,4-dione
CID 174959393
5-ethyl-1,3-dimethoxy-5-methylimidazolidine-2,4-dione
CID 67068403
3-[bis(hydroxymethoxy)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 173212284
1,3-bis(hydroxymethyl)-2-methoxy-5,5-dimethylimidazolidin-4-one
CID 123587839
3-hydroxy-1,5,5-trimethylimidazolidine-2,4-dione
CID 18314235
1,4-bis(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one
CID 18003347
4-chloro-1-(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one
CID 54582542
ethyl 2-[[3-(2-ethoxy-2-oxoethoxy)-2,2,5,5-tetramethyl-4,6-dioxo-1,3-diazinan-1-yl]oxy]acetate
CID 23732289
4-bromo-1-(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one
CID 87941994
3,4,6-trimethoxy-6a-(1-methoxybutyl)-1,3a-dimethylimidazo[4,5-d]imidazole-2,5-dione
CID 70211539
3,3-diethyl-1-(2-hydroxyethyl)-4-methoxy-5,5-dimethylpiperazin-2-one
CID 89300580
1-(3-hydroxy-2-methoxypropoxy)-1,3,5-triazinane-2,4,6-trione
CID 174598770

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(hydroxymethoxy)-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1,3-bis(hydroxymethoxy)-5,5-dimethylimidazolidine-2,4-dione (CID 174913705) is 1,3-bis(hydroxymethoxy)-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1,3-bis(hydroxymethoxy)-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1,3-bis(hydroxymethoxy)-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)N(OCO)C(=O)N1OCO.
What is the InChIKey of 1,3-bis(hydroxymethoxy)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is SPGIBJJMLUJJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O6/c1-7(2)5(12)8(14-3-10)6(13)9(7)15-4-11/h10-11H,3-4H2,1-2H3.
What are the key properties of 1,3-bis(hydroxymethoxy)-5,5-dimethylimidazolidine-2,4-dione?
1,3-bis(hydroxymethoxy)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 220.18 g/mol, XLogP of -1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(hydroxymethoxy)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 174913705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).