azanidacyclobutane-2,4-dione;carbanide;ethane;methane;1-methylazetidine-2,4-dione;propan-2-one;propan-2-one;tris(yttrium)

C18H34N2O6Y3-4 — CID 160766785

About azanidacyclobutane-2,4-dione;carbanide;ethane;methane;1-methylazetidine-2,4-dione;propan-2-one;propan-2-one;tris(yttrium)

azanidacyclobutane-2,4-dione;carbanide;ethane;methane;1-methylazetidine-2,4-dione;propan-2-one;propan-2-one;tris(yttrium) (PubChem CID 160766785) has the molecular formula C18H34N2O6Y3-4 and a molecular weight of 641.20 g/mol. Its IUPAC name is azanidacyclobutane-2,4-dione;carbanide;ethane;methane;1-methylazetidine-2,4-dione;propan-2-one;propan-2-one;tris(yttrium).

Molecular Properties

• Compound Name: azanidacyclobutane-2,4-dione;carbanide;ethane;methane;1-methylazetidine-2,4-dione;propan-2-one;propan-2-one;tris(yttrium)
• PubChem CID: 160766785
• Molecular Formula: C18H34N2O6Y3-4
• Molecular Weight: 641.20 g/mol
• Exact Mass: 640.96
• IUPAC Name: azanidacyclobutane-2,4-dione;carbanide;ethane;methane;1-methylazetidine-2,4-dione;propan-2-one;propan-2-one;tris(yttrium)
• SMILES: C.C.CC(C)=O.CN1C(=O)CC1=O.O=C1CC(=O)[N-]1.[CH2-]C.[CH2-]C(C)=O.[CH3-].[Y].[Y].[Y]
• InChI: InChI=1S/C4H5NO2.C3H3NO2.C3H6O.C3H5O.C2H5.2CH4.CH3.3Y/c1-5-3(6)2-4(5)7;5-2-1-3(6)4-2;2*1-3(2)4;1-2;;;;;;/h2H2,1H3;1H2,(H,4,5,6);1-2H3;1H2,2H3;1H2,2H3;2*1H4;1H3;;;/q;;;2*-1;;;-1;;;/p-1
• InChIKey: UILJIKIFEZOEEW-UHFFFAOYSA-M
• XLogP: 2.75
• TPSA: 119.76 Ų
• H-Bond Acceptors: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	641.20
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azanidacyclobutane-2,4-dione;carbanide;ethane;methane;1-methylazetidine-2,4-dione;propan-2-one;propan-2-one;tris(yttrium)?

The IUPAC name of azanidacyclobutane-2,4-dione;carbanide;ethane;methane;1-methylazetidine-2,4-dione;propan-2-one;propan-2-one;tris(yttrium) (CID 160766785) is azanidacyclobutane-2,4-dione;carbanide;ethane;methane;1-methylazetidine-2,4-dione;propan-2-one;propan-2-one;tris(yttrium).

What is the SMILES notation for azanidacyclobutane-2,4-dione;carbanide;ethane;methane;1-methylazetidine-2,4-dione;propan-2-one;propan-2-one;tris(yttrium)?

The canonical SMILES for azanidacyclobutane-2,4-dione;carbanide;ethane;methane;1-methylazetidine-2,4-dione;propan-2-one;propan-2-one;tris(yttrium) is C.C.CC(C)=O.CN1C(=O)CC1=O.O=C1CC(=O)[N-]1.[CH2-]C.[CH2-]C(C)=O.[CH3-].[Y].[Y].[Y].

What is the InChIKey of azanidacyclobutane-2,4-dione;carbanide;ethane;methane;1-methylazetidine-2,4-dione;propan-2-one;propan-2-one;tris(yttrium)?

The InChIKey is UILJIKIFEZOEEW-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H5NO2.C3H3NO2.C3H6O.C3H5O.C2H5.2CH4.CH3.3Y/c1-5-3(6)2-4(5)7;5-2-1-3(6)4-2;2*1-3(2)4;1-2;;;;;;/h2H2,1H3;1H2,(H,4,5,6);1-2H3;1H2,2H3;1H2,2H3;2*1H4;1H3;;;/q;;;2*-1;;;-1;;;/p-1.

What are the key properties of azanidacyclobutane-2,4-dione;carbanide;ethane;methane;1-methylazetidine-2,4-dione;propan-2-one;propan-2-one;tris(yttrium)?

azanidacyclobutane-2,4-dione;carbanide;ethane;methane;1-methylazetidine-2,4-dione;propan-2-one;propan-2-one;tris(yttrium) has a molecular weight of 641.20 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for azanidacyclobutane-2,4-dione;carbanide;ethane;methane;1-methylazetidine-2,4-dione;propan-2-one;propan-2-one;tris(yttrium) is sourced from PubChem (CID 160766785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).