3-(hydroxymethyl)-1,3-diazaspiro[4.5]decane-2,4-dione

C9H14N2O3 — CID 12830

IUPAC3-(hydroxymethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1CO
InChIInChI=1S/C9H14N2O3/c12-6-11-7(13)9(10-8(11)14)4-2-1-3-5-9/h12H,1-6H2,(H,10,14)
InChIKeyFGVDKIGUEQOVMW-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.19
Rot. Bonds1

About 3-(hydroxymethyl)-1,3-diazaspiro[4.5]decane-2,4-dione

3-(hydroxymethyl)-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 12830) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(hydroxymethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID12830
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-(hydroxymethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1CO
InChIInChI=1S/C9H14N2O3/c12-6-11-7(13)9(10-8(11)14)4-2-1-3-5-9/h12H,1-6H2,(H,10,14)
InChIKeyFGVDKIGUEQOVMW-UHFFFAOYSA-N
XLogP0.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.19
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[4.5]decane-2,4-dione
CID 12799
1,3-Diazaspiro(4.5)decane-2,4-dione, 1-methyl-
CID 13423
1,3-Diazaspiro(4.5)decane-2,4-dione, 3-methyl-
CID 12816
CID 451207
CID 451207
3-(Chloromethyl)-2-hydroxy-1,3-diazaspiro(4.5)dec-1-en-4-one
CID 120427
1,3-Diazaspiro(4.4)nonane-2,4-dione, 3-(hydroxymethyl)-
CID 13424
1,8-Dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 3865268
5,5-Pentamethylene-3-vinylhydantoin
CID 294581
2-(2,4-Dioxo-1,3-diazaspiro(4.5)decan-3-yl)acetic acid
CID 3162834
Spirohydantoin aziridine
CID 128068
6-Methyl-2-propyl-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 46933613
1,3-Diazaspiro(4.4)nonane-2,4-dione, 3-(2-hydroxyethyl)-
CID 12831

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(hydroxymethyl)-1,3-diazaspiro[4.5]decane-2,4-dione (CID 12830) is 3-(hydroxymethyl)-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(hydroxymethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(hydroxymethyl)-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCCCC2)C(=O)N1CO.
What is the InChIKey of 3-(hydroxymethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is FGVDKIGUEQOVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c12-6-11-7(13)9(10-8(11)14)4-2-1-3-5-9/h12H,1-6H2,(H,10,14).
What are the key properties of 3-(hydroxymethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
3-(hydroxymethyl)-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 198.22 g/mol, XLogP of 0.19, 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[4.5]decane-2,4-dione is sourced from PubChem (CID 12830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).