carbanide;5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;yttrium

C9H11NO5Y-2 — CID 148915070

IUPACcarbanide;5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;yttrium
SMILESO=C1[N-]C(=O)C2C3OC(C(O)C3O)C12.[CH3-].[Y]
InChIInChI=1S/C8H9NO5.CH3.Y/c10-3-4(11)6-2-1(5(3)14-6)7(12)9-8(2)13;;/h1-6,10-11H,(H,9,12,13);1H3;/q;-1;/p-1
InChIKeyCJDOUNOJNUODOD-UHFFFAOYSA-M
MW302.10 g/mol
LogP-1.39
Rot. Bonds

About carbanide;5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;yttrium

carbanide;5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;yttrium (PubChem CID 148915070) has the molecular formula C9H11NO5Y-2 and a molecular weight of 302.10 g/mol. Its IUPAC name is carbanide;5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;yttrium.

Molecular Properties

Compound Namecarbanide;5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;yttrium
PubChem CID148915070
Molecular FormulaC9H11NO5Y-2
Molecular Weight302.10 g/mol
Exact Mass301.97
IUPAC Namecarbanide;5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;yttrium
SMILESO=C1[N-]C(=O)C2C3OC(C(O)C3O)C12.[CH3-].[Y]
InChIInChI=1S/C8H9NO5.CH3.Y/c10-3-4(11)6-2-1(5(3)14-6)7(12)9-8(2)13;;/h1-6,10-11H,(H,9,12,13);1H3;/q;-1;/p-1
InChIKeyCJDOUNOJNUODOD-UHFFFAOYSA-M
XLogP-1.39
TPSA97.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.10
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze carbanide;5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbanide;5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;yttrium?
The IUPAC name of carbanide;5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;yttrium (CID 148915070) is carbanide;5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;yttrium.
What is the SMILES notation for carbanide;5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;yttrium?
The canonical SMILES for carbanide;5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;yttrium is O=C1[N-]C(=O)C2C3OC(C(O)C3O)C12.[CH3-].[Y].
What is the InChIKey of carbanide;5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;yttrium?
The InChIKey is CJDOUNOJNUODOD-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9NO5.CH3.Y/c10-3-4(11)6-2-1(5(3)14-6)7(12)9-8(2)13;;/h1-6,10-11H,(H,9,12,13);1H3;/q;-1;/p-1.
What are the key properties of carbanide;5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;yttrium?
carbanide;5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;yttrium has a molecular weight of 302.10 g/mol, XLogP of -1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;yttrium is sourced from PubChem (CID 148915070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).