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

C9H15N3O2 — CID 22097484

IUPAC3,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1CCC2(CC1)NC(=O)N(C)C2=O
InChIInChI=1S/C9H15N3O2/c1-11-5-3-9(4-6-11)7(13)12(2)8(14)10-9/h3-6H2,1-2H3,(H,10,14)
InChIKeyUEKVEPQDQOYBHB-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.37
Rot. Bonds

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

3,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 22097484) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID22097484
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1CCC2(CC1)NC(=O)N(C)C2=O
InChIInChI=1S/C9H15N3O2/c1-11-5-3-9(4-6-11)7(13)12(2)8(14)10-9/h3-6H2,1-2H3,(H,10,14)
InChIKeyUEKVEPQDQOYBHB-UHFFFAOYSA-N
XLogP-0.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 22097484) is 3,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1CCC2(CC1)NC(=O)N(C)C2=O.
What is the InChIKey of 3,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is UEKVEPQDQOYBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-11-5-3-9(4-6-11)7(13)12(2)8(14)10-9/h3-6H2,1-2H3,(H,10,14).
What are the key properties of 3,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 197.24 g/mol, XLogP of -0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 22097484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).