carbanide;8-hydroxy-9-methoxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium

C11H15NO4Y-2 — CID 158984479

IUPACcarbanide;8-hydroxy-9-methoxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium
SMILESCOC1C(O)C2CC1C1C(=O)[N-]C(=O)C21.[CH3-].[Y]
InChIInChI=1S/C10H13NO4.CH3.Y/c1-15-8-4-2-3(7(8)12)5-6(4)10(14)11-9(5)13;;/h3-8,12H,2H2,1H3,(H,11,13,14);1H3;/q;-1;/p-1
InChIKeyAXPJBDISBYUBHH-UHFFFAOYSA-M
MW314.15 g/mol
LogP0.13
Rot. Bonds1

About carbanide;8-hydroxy-9-methoxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium

carbanide;8-hydroxy-9-methoxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium (PubChem CID 158984479) has the molecular formula C11H15NO4Y-2 and a molecular weight of 314.15 g/mol. Its IUPAC name is carbanide;8-hydroxy-9-methoxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium.

Molecular Properties

Compound Namecarbanide;8-hydroxy-9-methoxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium
PubChem CID158984479
Molecular FormulaC11H15NO4Y-2
Molecular Weight314.15 g/mol
Exact Mass314.01
IUPAC Namecarbanide;8-hydroxy-9-methoxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium
SMILESCOC1C(O)C2CC1C1C(=O)[N-]C(=O)C21.[CH3-].[Y]
InChIInChI=1S/C10H13NO4.CH3.Y/c1-15-8-4-2-3(7(8)12)5-6(4)10(14)11-9(5)13;;/h3-8,12H,2H2,1H3,(H,11,13,14);1H3;/q;-1;/p-1
InChIKeyAXPJBDISBYUBHH-UHFFFAOYSA-M
XLogP0.13
TPSA77.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.15
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(1R,2R,6S,7S,8S,9S)-8,9-dihydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 102484573
(1r,2r,6s,7s,8s,9s)-4-Amino-8,9-dihydroxy-4-azatricyclo[5,2,1,0 2,6]decane-3,5-dione
CID 129757055
(9-Methoxy-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-8-yl) acetate
CID 57702224
(9-Hydroxy-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-8-yl) acetate
CID 57702226
(1S,2R,6S,7R,8S,9S)-8,9-dihydroxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 58279944
(8S,9R)-8,9-dihydroxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 58279945
(8S)-8,9-dihydroxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 58279946
rac-(3aS,4R,5S,7R,7aR)-5-hydroxyhexahydro-1H-4,7-methanoisoindole-1,3-dione
CID 58279952
(1S,2R,6S,7R,8R,9S)-8,9-dihydroxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 58279955
Ethanone;(9-hydroxy-3,5-dioxo-4-azanidatricyclo[5.2.1.02,6]decan-8-yl) acetate;yttrium
CID 58843019
Ethanone;(9-methoxy-3,5-dioxo-4-azanidatricyclo[5.2.1.02,6]decan-8-yl) acetate;yttrium
CID 58843021
(1S,2R,6S,7R,8S)-8-hydroxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 59293608

Frequently Asked Questions

What is the IUPAC name of carbanide;8-hydroxy-9-methoxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium?
The IUPAC name of carbanide;8-hydroxy-9-methoxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium (CID 158984479) is carbanide;8-hydroxy-9-methoxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium.
What is the SMILES notation for carbanide;8-hydroxy-9-methoxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium?
The canonical SMILES for carbanide;8-hydroxy-9-methoxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium is COC1C(O)C2CC1C1C(=O)[N-]C(=O)C21.[CH3-].[Y].
What is the InChIKey of carbanide;8-hydroxy-9-methoxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium?
The InChIKey is AXPJBDISBYUBHH-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13NO4.CH3.Y/c1-15-8-4-2-3(7(8)12)5-6(4)10(14)11-9(5)13;;/h3-8,12H,2H2,1H3,(H,11,13,14);1H3;/q;-1;/p-1.
What are the key properties of carbanide;8-hydroxy-9-methoxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium?
carbanide;8-hydroxy-9-methoxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium has a molecular weight of 314.15 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;8-hydroxy-9-methoxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium is sourced from PubChem (CID 158984479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).