1,5-dihydroxy-3,4,4-trimethylimidazolidin-2-one

C6H12N2O3 — CID 12664495

IUPAC1,5-dihydroxy-3,4,4-trimethylimidazolidin-2-one
SMILESCN1C(=O)N(O)C(O)C1(C)C
InChIInChI=1S/C6H12N2O3/c1-6(2)4(9)8(11)5(10)7(6)3/h4,9,11H,1-3H3
InChIKeyMPEZDBARVBNSOH-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.16
Rot. Bonds

About 1,5-dihydroxy-3,4,4-trimethylimidazolidin-2-one

1,5-dihydroxy-3,4,4-trimethylimidazolidin-2-one (PubChem CID 12664495) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 1,5-dihydroxy-3,4,4-trimethylimidazolidin-2-one.

Molecular Properties

Compound Name1,5-dihydroxy-3,4,4-trimethylimidazolidin-2-one
PubChem CID12664495
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name1,5-dihydroxy-3,4,4-trimethylimidazolidin-2-one
SMILESCN1C(=O)N(O)C(O)C1(C)C
InChIInChI=1S/C6H12N2O3/c1-6(2)4(9)8(11)5(10)7(6)3/h4,9,11H,1-3H3
InChIKeyMPEZDBARVBNSOH-UHFFFAOYSA-N
XLogP-0.16
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-dihydroxy-3,4,4-trimethylimidazolidin-2-one?
The IUPAC name of 1,5-dihydroxy-3,4,4-trimethylimidazolidin-2-one (CID 12664495) is 1,5-dihydroxy-3,4,4-trimethylimidazolidin-2-one.
What is the SMILES notation for 1,5-dihydroxy-3,4,4-trimethylimidazolidin-2-one?
The canonical SMILES for 1,5-dihydroxy-3,4,4-trimethylimidazolidin-2-one is CN1C(=O)N(O)C(O)C1(C)C.
What is the InChIKey of 1,5-dihydroxy-3,4,4-trimethylimidazolidin-2-one?
The InChIKey is MPEZDBARVBNSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-6(2)4(9)8(11)5(10)7(6)3/h4,9,11H,1-3H3.
What are the key properties of 1,5-dihydroxy-3,4,4-trimethylimidazolidin-2-one?
1,5-dihydroxy-3,4,4-trimethylimidazolidin-2-one has a molecular weight of 160.17 g/mol, XLogP of -0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydroxy-3,4,4-trimethylimidazolidin-2-one is sourced from PubChem (CID 12664495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).