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

C10H13NO4Y-2 — CID 159510694

IUPACcarbanide;8,9-dihydroxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium
SMILESO=C1[N-]C(=O)C2C3CC(C(O)C3O)C12.[CH3-].[Y]
InChIInChI=1S/C9H11NO4.CH3.Y/c11-6-2-1-3(7(6)12)5-4(2)8(13)10-9(5)14;;/h2-7,11-12H,1H2,(H,10,13,14);1H3;/q;-1;/p-1
InChIKeyAYBMBTRYZDXMLD-UHFFFAOYSA-M
MW300.12 g/mol
LogP-0.52
Rot. Bonds

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

carbanide;8,9-dihydroxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium (PubChem CID 159510694) has the molecular formula C10H13NO4Y-2 and a molecular weight of 300.12 g/mol. Its IUPAC name is carbanide;8,9-dihydroxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium.

Molecular Properties

Compound Namecarbanide;8,9-dihydroxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium
PubChem CID159510694
Molecular FormulaC10H13NO4Y-2
Molecular Weight300.12 g/mol
Exact Mass299.99
IUPAC Namecarbanide;8,9-dihydroxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium
SMILESO=C1[N-]C(=O)C2C3CC(C(O)C3O)C12.[CH3-].[Y]
InChIInChI=1S/C9H11NO4.CH3.Y/c11-6-2-1-3(7(6)12)5-4(2)8(13)10-9(5)14;;/h2-7,11-12H,1H2,(H,10,13,14);1H3;/q;-1;/p-1
InChIKeyAYBMBTRYZDXMLD-UHFFFAOYSA-M
XLogP-0.52
TPSA88.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
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

(8,9-Dihydroxy-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl) trifluoromethanesulfonate
CID 173129515
(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-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;8,9-dihydroxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium?
The IUPAC name of carbanide;8,9-dihydroxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium (CID 159510694) is carbanide;8,9-dihydroxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium.
What is the SMILES notation for carbanide;8,9-dihydroxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium?
The canonical SMILES for carbanide;8,9-dihydroxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium is O=C1[N-]C(=O)C2C3CC(C(O)C3O)C12.[CH3-].[Y].
What is the InChIKey of carbanide;8,9-dihydroxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium?
The InChIKey is AYBMBTRYZDXMLD-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11NO4.CH3.Y/c11-6-2-1-3(7(6)12)5-4(2)8(13)10-9(5)14;;/h2-7,11-12H,1H2,(H,10,13,14);1H3;/q;-1;/p-1.
What are the key properties of carbanide;8,9-dihydroxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium?
carbanide;8,9-dihydroxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium has a molecular weight of 300.12 g/mol, XLogP of -0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;8,9-dihydroxy-4-azanidatricyclo[5.2.1.02,6]decane-3,5-dione;yttrium is sourced from PubChem (CID 159510694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).