8-methoxy-1,3,8-triazaspiro[4.5]decane-2,4-dione

C8H13N3O3 — CID 59614605

IUPAC8-methoxy-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCON1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C8H13N3O3/c1-14-11-4-2-8(3-5-11)6(12)9-7(13)10-8/h2-5H2,1H3,(H2,9,10,12,13)
InChIKeyHSMMVBOTEZPXTM-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.78
Rot. Bonds1

About 8-methoxy-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-methoxy-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 59614605) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 8-methoxy-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methoxy-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID59614605
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name8-methoxy-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCON1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C8H13N3O3/c1-14-11-4-2-8(3-5-11)6(12)9-7(13)10-8/h2-5H2,1H3,(H2,9,10,12,13)
InChIKeyHSMMVBOTEZPXTM-UHFFFAOYSA-N
XLogP-0.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-methoxy-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methoxy-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 59614605) is 8-methoxy-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methoxy-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methoxy-1,3,8-triazaspiro[4.5]decane-2,4-dione is CON1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 8-methoxy-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is HSMMVBOTEZPXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-14-11-4-2-8(3-5-11)6(12)9-7(13)10-8/h2-5H2,1H3,(H2,9,10,12,13).
What are the key properties of 8-methoxy-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-methoxy-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 199.21 g/mol, XLogP of -0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 59614605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).