3-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

C8H12N2O3 — CID 13424

IUPAC3-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1CO
InChIInChI=1S/C8H12N2O3/c11-5-10-6(12)8(9-7(10)13)3-1-2-4-8/h11H,1-5H2,(H,9,13)
InChIKeyDAYLEOSRTXSJFG-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.20
Rot. Bonds1

About 3-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

3-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 13424) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID13424
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name3-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1CO
InChIInChI=1S/C8H12N2O3/c11-5-10-6(12)8(9-7(10)13)3-1-2-4-8/h11H,1-5H2,(H,9,13)
InChIKeyDAYLEOSRTXSJFG-UHFFFAOYSA-N
XLogP-0.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-Diazaspiro(4.4)nonane-2,4-dione
CID 94745
3-(2,4-Dioxo-1,3-diazaspiro(4.4)nonan-3-yl)propanoic acid
CID 2998413
2-(2,4-Dioxo-1,3-diazaspiro(4.4)nonan-3-yl)acetic acid
CID 4996089
1,3-Diazaspiro(4.5)decane-2,4-dione, 3-(hydroxymethyl)-
CID 12830
1-Acetyl-1,3-diazaspiro(4.4)nonane-2,4-dione
CID 95999
1-Methyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 43840157
2-Ethyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 46933612
1,3-Diazaspiro(4.4)nonane-2,4-dione, 3-(2-hydroxyethyl)-
CID 12831
1,3-Diazaspiro(4.6)undecane-2,4-dione, 3-(hydroxymethyl)-
CID 12850
1,3-Diazaspiro(4.5)decane-2,4-dione, 3-(hydroxymethyl)-8-methyl-
CID 120827
1,3-Diazaspiro(4.4)nonane-2,4-dione, 3-cyclohexyl-
CID 3041342
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N,N-dimethylacetamide
CID 18777073

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 13424) is 3-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCCC2)C(=O)N1CO.
What is the InChIKey of 3-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is DAYLEOSRTXSJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c11-5-10-6(12)8(9-7(10)13)3-1-2-4-8/h11H,1-5H2,(H,9,13).
What are the key properties of 3-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 184.19 g/mol, XLogP of -0.20, 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[4.4]nonane-2,4-dione is sourced from PubChem (CID 13424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).