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

C11H17N3O4 — CID 113239192

IUPAC7-(2-propoxyacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCCCOCC(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C11H17N3O4/c1-2-5-18-6-8(15)14-4-3-11(7-14)9(16)12-10(17)13-11/h2-7H2,1H3,(H2,12,13,16,17)
InChIKeyXEMFPRZQIPGQSJ-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.78
Rot. Bonds4

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

7-(2-propoxyacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 113239192) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 7-(2-propoxyacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-(2-propoxyacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID113239192
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name7-(2-propoxyacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCCCOCC(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C11H17N3O4/c1-2-5-18-6-8(15)14-4-3-11(7-14)9(16)12-10(17)13-11/h2-7H2,1H3,(H2,12,13,16,17)
InChIKeyXEMFPRZQIPGQSJ-UHFFFAOYSA-N
XLogP-0.78
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-propoxyacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-(2-propoxyacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 113239192) is 7-(2-propoxyacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-(2-propoxyacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-(2-propoxyacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is CCCOCC(=O)N1CCC2(C1)NC(=O)NC2=O.
What is the InChIKey of 7-(2-propoxyacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is XEMFPRZQIPGQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-2-5-18-6-8(15)14-4-3-11(7-14)9(16)12-10(17)13-11/h2-7H2,1H3,(H2,12,13,16,17).
What are the key properties of 7-(2-propoxyacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-(2-propoxyacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 255.27 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-propoxyacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 113239192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).