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

C8H13N3O2 — CID 2302260

IUPAC8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C8H13N3O2/c1-11-4-2-8(3-5-11)6(12)9-7(13)10-8/h2-5H2,1H3,(H2,9,10,12,13)
InChIKeyZGSNEAYELPMHGT-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.71
Rot. Bonds

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

8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 2302260) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID2302260
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C8H13N3O2/c1-11-4-2-8(3-5-11)6(12)9-7(13)10-8/h2-5H2,1H3,(H2,9,10,12,13)
InChIKeyZGSNEAYELPMHGT-UHFFFAOYSA-N
XLogP-0.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
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 8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 2302260) is 8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is ZGSNEAYELPMHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-11-4-2-8(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-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 183.21 g/mol, XLogP of -0.71, 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 is sourced from PubChem (CID 2302260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).