7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C10H15N3O3 — CID 78996235

IUPAC7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCC(C)C(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C10H15N3O3/c1-6(2)7(14)13-4-3-10(5-13)8(15)11-9(16)12-10/h6H,3-5H2,1-2H3,(H2,11,12,15,16)
InChIKeyCGCVFVHHRWZRNN-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.55
Rot. Bonds1

About 7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 78996235) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID78996235
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCC(C)C(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C10H15N3O3/c1-6(2)7(14)13-4-3-10(5-13)8(15)11-9(16)12-10/h6H,3-5H2,1-2H3,(H2,11,12,15,16)
InChIKeyCGCVFVHHRWZRNN-UHFFFAOYSA-N
XLogP-0.55
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.55
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 7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 78996235) is 7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is CC(C)C(=O)N1CCC2(C1)NC(=O)NC2=O.
What is the InChIKey of 7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is CGCVFVHHRWZRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6(2)7(14)13-4-3-10(5-13)8(15)11-9(16)12-10/h6H,3-5H2,1-2H3,(H2,11,12,15,16).
What are the key properties of 7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 225.25 g/mol, XLogP of -0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 78996235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).