carbanide;(6-methoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-id-5-yl) acetate;yttrium

C12H15NO6Y-2 — CID 58843011

IUPACcarbanide;(6-methoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-id-5-yl) acetate;yttrium
SMILESCOC1C(OC(C)=O)C2OC1C1C(=O)[N-]C(=O)C21.[CH3-].[Y]
InChIInChI=1S/C11H13NO6.CH3.Y/c1-3(13)17-9-7-5-4(10(14)12-11(5)15)6(18-7)8(9)16-2;;/h4-9H,1-2H3,(H,12,14,15);1H3;/q;-1;/p-1
InChIKeyXKBFRWIFSVSMAF-UHFFFAOYSA-M
MW358.16 g/mol
LogP-0.17
Rot. Bonds2

About carbanide;(6-methoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-id-5-yl) acetate;yttrium

carbanide;(6-methoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-id-5-yl) acetate;yttrium (PubChem CID 58843011) has the molecular formula C12H15NO6Y-2 and a molecular weight of 358.16 g/mol. Its IUPAC name is carbanide;(6-methoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-id-5-yl) acetate;yttrium.

Molecular Properties

Compound Namecarbanide;(6-methoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-id-5-yl) acetate;yttrium
PubChem CID58843011
Molecular FormulaC12H15NO6Y-2
Molecular Weight358.16 g/mol
Exact Mass358.00
IUPAC Namecarbanide;(6-methoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-id-5-yl) acetate;yttrium
SMILESCOC1C(OC(C)=O)C2OC1C1C(=O)[N-]C(=O)C21.[CH3-].[Y]
InChIInChI=1S/C11H13NO6.CH3.Y/c1-3(13)17-9-7-5-4(10(14)12-11(5)15)6(18-7)8(9)16-2;;/h4-9H,1-2H3,(H,12,14,15);1H3;/q;-1;/p-1
InChIKeyXKBFRWIFSVSMAF-UHFFFAOYSA-M
XLogP-0.17
TPSA93.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.16
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze carbanide;(6-methoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-id-5-yl) acetate;yttrium with MolForge

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Launch Full Analysis

Related Compounds

Hexahydro-3h-2,6-epoxyoxireno[2,3-f]isoindole-3,5(4h)-dione
CID 143672229
[(6R,7R)-6-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl] acetate;2,2,2-trifluoroacetic acid;hydrate
CID 160545391
4-Hydroxyhexahydro-3h-2,6-epoxyoxireno[2,3-f]isoindole-3,5(4h)-dione
CID 162787569
5-Hydroxy-6-methoxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 57702230
5,6-Dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 57702232
(6-Methoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) acetate
CID 58843012
5-Hydroxy-6-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione;tungsten
CID 58843017
Hydroxymethanone;5-hydroxy-6-methoxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;yttrium
CID 58843020
5,6-Dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;ethanone;yttrium
CID 58843023
5,6-Dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;hydroxymethanone;yttrium
CID 58843029
4-Butyl-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
CID 60066210
4-[3-[(6R,7R)-5-acetyloxy-6-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]propoxy]-4-oxobutanoic acid
CID 60107133

Frequently Asked Questions

What is the IUPAC name of carbanide;(6-methoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-id-5-yl) acetate;yttrium?
The IUPAC name of carbanide;(6-methoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-id-5-yl) acetate;yttrium (CID 58843011) is carbanide;(6-methoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-id-5-yl) acetate;yttrium.
What is the SMILES notation for carbanide;(6-methoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-id-5-yl) acetate;yttrium?
The canonical SMILES for carbanide;(6-methoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-id-5-yl) acetate;yttrium is COC1C(OC(C)=O)C2OC1C1C(=O)[N-]C(=O)C21.[CH3-].[Y].
What is the InChIKey of carbanide;(6-methoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-id-5-yl) acetate;yttrium?
The InChIKey is XKBFRWIFSVSMAF-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H13NO6.CH3.Y/c1-3(13)17-9-7-5-4(10(14)12-11(5)15)6(18-7)8(9)16-2;;/h4-9H,1-2H3,(H,12,14,15);1H3;/q;-1;/p-1.
What are the key properties of carbanide;(6-methoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-id-5-yl) acetate;yttrium?
carbanide;(6-methoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-id-5-yl) acetate;yttrium has a molecular weight of 358.16 g/mol, XLogP of -0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(6-methoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-id-5-yl) acetate;yttrium is sourced from PubChem (CID 58843011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).