3-(hydroxymethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione

C10H16N2O3 — CID 12850

IUPAC3-(hydroxymethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESO=C1NC2(CCCCCC2)C(=O)N1CO
InChIInChI=1S/C10H16N2O3/c13-7-12-8(14)10(11-9(12)15)5-3-1-2-4-6-10/h13H,1-7H2,(H,11,15)
InChIKeyYLINVOUPSJUXAU-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.58
Rot. Bonds1

About 3-(hydroxymethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione

3-(hydroxymethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 12850) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-(hydroxymethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID12850
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-(hydroxymethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESO=C1NC2(CCCCCC2)C(=O)N1CO
InChIInChI=1S/C10H16N2O3/c13-7-12-8(14)10(11-9(12)15)5-3-1-2-4-6-10/h13H,1-7H2,(H,11,15)
InChIKeyYLINVOUPSJUXAU-UHFFFAOYSA-N
XLogP0.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-(hydroxymethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 12850) is 3-(hydroxymethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-(hydroxymethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-(hydroxymethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione is O=C1NC2(CCCCCC2)C(=O)N1CO.
What is the InChIKey of 3-(hydroxymethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is YLINVOUPSJUXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-7-12-8(14)10(11-9(12)15)5-3-1-2-4-6-10/h13H,1-7H2,(H,11,15).
What are the key properties of 3-(hydroxymethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-(hydroxymethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 212.25 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 12850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).