5-(butylaminooxy)-1,3-dimethylimidazolidine-2,4-dione

C9H17N3O3 — CID 88939496

IUPAC5-(butylaminooxy)-1,3-dimethylimidazolidine-2,4-dione
SMILESCCCCNOC1C(=O)N(C)C(=O)N1C
InChIInChI=1S/C9H17N3O3/c1-4-5-6-10-15-8-7(13)11(2)9(14)12(8)3/h8,10H,4-6H2,1-3H3
InChIKeyKJNDCDSKGKRFOE-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.16
Rot. Bonds5

About 5-(butylaminooxy)-1,3-dimethylimidazolidine-2,4-dione

5-(butylaminooxy)-1,3-dimethylimidazolidine-2,4-dione (PubChem CID 88939496) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 5-(butylaminooxy)-1,3-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(butylaminooxy)-1,3-dimethylimidazolidine-2,4-dione
PubChem CID88939496
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name5-(butylaminooxy)-1,3-dimethylimidazolidine-2,4-dione
SMILESCCCCNOC1C(=O)N(C)C(=O)N1C
InChIInChI=1S/C9H17N3O3/c1-4-5-6-10-15-8-7(13)11(2)9(14)12(8)3/h8,10H,4-6H2,1-3H3
InChIKeyKJNDCDSKGKRFOE-UHFFFAOYSA-N
XLogP0.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(butylaminooxy)-1,3-dimethylimidazolidine-2,4-dione?
The IUPAC name of 5-(butylaminooxy)-1,3-dimethylimidazolidine-2,4-dione (CID 88939496) is 5-(butylaminooxy)-1,3-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(butylaminooxy)-1,3-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 5-(butylaminooxy)-1,3-dimethylimidazolidine-2,4-dione is CCCCNOC1C(=O)N(C)C(=O)N1C.
What is the InChIKey of 5-(butylaminooxy)-1,3-dimethylimidazolidine-2,4-dione?
The InChIKey is KJNDCDSKGKRFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-4-5-6-10-15-8-7(13)11(2)9(14)12(8)3/h8,10H,4-6H2,1-3H3.
What are the key properties of 5-(butylaminooxy)-1,3-dimethylimidazolidine-2,4-dione?
5-(butylaminooxy)-1,3-dimethylimidazolidine-2,4-dione has a molecular weight of 215.25 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylaminooxy)-1,3-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 88939496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).