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

C8H13N3O2 — CID 18931314

IUPAC3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)NC2(CCNCC2)C1=O
InChIInChI=1S/C8H13N3O2/c1-11-6(12)8(10-7(11)13)2-4-9-5-3-8/h9H,2-5H2,1H3,(H,10,13)
InChIKeyNLITZISVKPYCPP-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.71
Rot. Bonds

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

3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 18931314) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID18931314
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)NC2(CCNCC2)C1=O
InChIInChI=1S/C8H13N3O2/c1-11-6(12)8(10-7(11)13)2-4-9-5-3-8/h9H,2-5H2,1H3,(H,10,13)
InChIKeyNLITZISVKPYCPP-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 3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 18931314) is 3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1C(=O)NC2(CCNCC2)C1=O.
What is the InChIKey of 3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is NLITZISVKPYCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-11-6(12)8(10-7(11)13)2-4-9-5-3-8/h9H,2-5H2,1H3,(H,10,13).
What are the key properties of 3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-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 3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 18931314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).