1-methyl-1,3,9-triazaspiro[4.6]undecane-2,4-dione

C9H15N3O2 — CID 83880106

IUPAC1-methyl-1,3,9-triazaspiro[4.6]undecane-2,4-dione
SMILESCN1C(=O)NC(=O)C12CCCNCC2
InChIInChI=1S/C9H15N3O2/c1-12-8(14)11-7(13)9(12)3-2-5-10-6-4-9/h10H,2-6H2,1H3,(H,11,13,14)
InChIKeyKHVGWPORDIOSQB-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.32
Rot. Bonds

About 1-methyl-1,3,9-triazaspiro[4.6]undecane-2,4-dione

1-methyl-1,3,9-triazaspiro[4.6]undecane-2,4-dione (PubChem CID 83880106) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-methyl-1,3,9-triazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name1-methyl-1,3,9-triazaspiro[4.6]undecane-2,4-dione
PubChem CID83880106
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-methyl-1,3,9-triazaspiro[4.6]undecane-2,4-dione
SMILESCN1C(=O)NC(=O)C12CCCNCC2
InChIInChI=1S/C9H15N3O2/c1-12-8(14)11-7(13)9(12)3-2-5-10-6-4-9/h10H,2-6H2,1H3,(H,11,13,14)
InChIKeyKHVGWPORDIOSQB-UHFFFAOYSA-N
XLogP-0.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methyl-1,3,9-triazaspiro[4.6]undecane-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

Related Compounds

1-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 83873875
1-methyl-4-sulfanylidene-1,3,8-triazaspiro[4.5]decan-2-one
CID 154381119
ethane;1-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 144964545
tert-butyl 1-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 151169776
1-methyl-1,8-diazaspiro[4.5]decan-2-one
CID 66570377
(8R)-1-methyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylic acid
CID 67113783
4-imino-1,7,7-trimethyl-1,3-diazaspiro[4.5]decan-2-one
CID 138389166
1-methyl-1,4-diazaspiro[5.7]tridecane-3,5-dione
CID 53388991
1-methyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 121229524
1-(2-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83660511
1-acetyl-1,7-diazaspiro[4.4]nonan-6-one
CID 118104160
8-cyclohexyl-6-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64885846

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,3,9-triazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 1-methyl-1,3,9-triazaspiro[4.6]undecane-2,4-dione (CID 83880106) is 1-methyl-1,3,9-triazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 1-methyl-1,3,9-triazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 1-methyl-1,3,9-triazaspiro[4.6]undecane-2,4-dione is CN1C(=O)NC(=O)C12CCCNCC2.
What is the InChIKey of 1-methyl-1,3,9-triazaspiro[4.6]undecane-2,4-dione?
The InChIKey is KHVGWPORDIOSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-12-8(14)11-7(13)9(12)3-2-5-10-6-4-9/h10H,2-6H2,1H3,(H,11,13,14).
What are the key properties of 1-methyl-1,3,9-triazaspiro[4.6]undecane-2,4-dione?
1-methyl-1,3,9-triazaspiro[4.6]undecane-2,4-dione has a molecular weight of 197.24 g/mol, XLogP of -0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,3,9-triazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 83880106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).