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

C9H15N3O3 — CID 58537994

IUPAC8-methoxy-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCON1CCC2(CC1)C(=O)NC(=O)N2C
InChIInChI=1S/C9H15N3O3/c1-11-8(14)10-7(13)9(11)3-5-12(15-2)6-4-9/h3-6H2,1-2H3,(H,10,13,14)
InChIKeyYGHVURBCJSQNLL-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.44
Rot. Bonds1

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

8-methoxy-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 58537994) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 8-methoxy-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methoxy-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID58537994
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name8-methoxy-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCON1CCC2(CC1)C(=O)NC(=O)N2C
InChIInChI=1S/C9H15N3O3/c1-11-8(14)10-7(13)9(11)3-5-12(15-2)6-4-9/h3-6H2,1-2H3,(H,10,13,14)
InChIKeyYGHVURBCJSQNLL-UHFFFAOYSA-N
XLogP-0.44
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxy-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methoxy-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 58537994) is 8-methoxy-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methoxy-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methoxy-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CON1CCC2(CC1)C(=O)NC(=O)N2C.
What is the InChIKey of 8-methoxy-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is YGHVURBCJSQNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-11-8(14)10-7(13)9(11)3-5-12(15-2)6-4-9/h3-6H2,1-2H3,(H,10,13,14).
What are the key properties of 8-methoxy-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-methoxy-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 213.24 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 58537994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).