1,3,9-triazaspiro[4.5]decane-2,4-dione

C7H11N3O2 — CID 12652263

IUPAC1,3,9-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCCNC2)N1
InChIInChI=1S/C7H11N3O2/c11-5-7(10-6(12)9-5)2-1-3-8-4-7/h8H,1-4H2,(H2,9,10,11,12)
InChIKeyPLFDWSDBRBNQLQ-UHFFFAOYSA-N
MW169.18 g/mol
LogP-1.05
Rot. Bonds

About 1,3,9-triazaspiro[4.5]decane-2,4-dione

1,3,9-triazaspiro[4.5]decane-2,4-dione (PubChem CID 12652263) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1,3,9-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1,3,9-triazaspiro[4.5]decane-2,4-dione
PubChem CID12652263
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name1,3,9-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCCNC2)N1
InChIInChI=1S/C7H11N3O2/c11-5-7(10-6(12)9-5)2-1-3-8-4-7/h8H,1-4H2,(H2,9,10,11,12)
InChIKeyPLFDWSDBRBNQLQ-UHFFFAOYSA-N
XLogP-1.05
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
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 1,3,9-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1,3,9-triazaspiro[4.5]decane-2,4-dione (CID 12652263) is 1,3,9-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1,3,9-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1,3,9-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCCNC2)N1.
What is the InChIKey of 1,3,9-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is PLFDWSDBRBNQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c11-5-7(10-6(12)9-5)2-1-3-8-4-7/h8H,1-4H2,(H2,9,10,11,12).
What are the key properties of 1,3,9-triazaspiro[4.5]decane-2,4-dione?
1,3,9-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 169.18 g/mol, XLogP of -1.05, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,9-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 12652263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).