8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrate

C8H15N3O3 — CID 154701034

IUPAC8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrate
SMILESCN1CCC2(CC1)NC(=O)NC2=O.O
InChIInChI=1S/C8H13N3O2.H2O/c1-11-4-2-8(3-5-11)6(12)9-7(13)10-8;/h2-5H2,1H3,(H2,9,10,12,13);1H2
InChIKeyQYGOHJGCDCLLAQ-UHFFFAOYSA-N
MW201.23 g/mol
LogP-1.53
Rot. Bonds

About 8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrate

8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrate (PubChem CID 154701034) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is 8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrate.

Molecular Properties

Compound Name8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrate
PubChem CID154701034
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrate
SMILESCN1CCC2(CC1)NC(=O)NC2=O.O
InChIInChI=1S/C8H13N3O2.H2O/c1-11-4-2-8(3-5-11)6(12)9-7(13)10-8;/h2-5H2,1H3,(H2,9,10,12,13);1H2
InChIKeyQYGOHJGCDCLLAQ-UHFFFAOYSA-N
XLogP-1.53
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrate 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-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrate?
The IUPAC name of 8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrate (CID 154701034) is 8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrate.
What is the SMILES notation for 8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrate?
The canonical SMILES for 8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrate is CN1CCC2(CC1)NC(=O)NC2=O.O.
What is the InChIKey of 8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrate?
The InChIKey is QYGOHJGCDCLLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2.H2O/c1-11-4-2-8(3-5-11)6(12)9-7(13)10-8;/h2-5H2,1H3,(H2,9,10,12,13);1H2.
What are the key properties of 8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrate?
8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrate has a molecular weight of 201.23 g/mol, XLogP of -1.53, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrate is sourced from PubChem (CID 154701034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).