7-acetyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C8H11N3O3 — CID 78996241

IUPAC7-acetyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCC(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C8H11N3O3/c1-5(12)11-3-2-8(4-11)6(13)9-7(14)10-8/h2-4H2,1H3,(H2,9,10,13,14)
InChIKeyYMWHITJKWDCWKF-UHFFFAOYSA-N
MW197.19 g/mol
LogP-1.18
Rot. Bonds

About 7-acetyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione

7-acetyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 78996241) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 7-acetyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-acetyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID78996241
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name7-acetyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCC(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C8H11N3O3/c1-5(12)11-3-2-8(4-11)6(13)9-7(14)10-8/h2-4H2,1H3,(H2,9,10,13,14)
InChIKeyYMWHITJKWDCWKF-UHFFFAOYSA-N
XLogP-1.18
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-1.18
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-acetyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-acetyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 78996241) is 7-acetyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-acetyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-acetyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione is CC(=O)N1CCC2(C1)NC(=O)NC2=O.
What is the InChIKey of 7-acetyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is YMWHITJKWDCWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-5(12)11-3-2-8(4-11)6(13)9-7(14)10-8/h2-4H2,1H3,(H2,9,10,13,14).
What are the key properties of 7-acetyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-acetyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 197.19 g/mol, XLogP of -1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 78996241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).