ethane;5-methyl-2-(7-oxo-1-oxa-8-azaspiro[2.5]octan-4-yl)isoindole-1,3-dione;molecular hydrogen

C17H22N2O4 — CID 157028606

IUPACethane;5-methyl-2-(7-oxo-1-oxa-8-azaspiro[2.5]octan-4-yl)isoindole-1,3-dione;molecular hydrogen
SMILESCC.Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC13CO3)C2=O.[H][H]
InChIInChI=1S/C15H14N2O4.C2H6.H2/c1-8-2-3-9-10(6-8)14(20)17(13(9)19)11-4-5-12(18)16-15(11)7-21-15;1-2;/h2-3,6,11H,4-5,7H2,1H3,(H,16,18);1-2H3;1H
InChIKeyKWJHTZZVHHNUNS-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.87
Rot. Bonds1

About ethane;5-methyl-2-(7-oxo-1-oxa-8-azaspiro[2.5]octan-4-yl)isoindole-1,3-dione;molecular hydrogen

ethane;5-methyl-2-(7-oxo-1-oxa-8-azaspiro[2.5]octan-4-yl)isoindole-1,3-dione;molecular hydrogen (PubChem CID 157028606) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is ethane;5-methyl-2-(7-oxo-1-oxa-8-azaspiro[2.5]octan-4-yl)isoindole-1,3-dione;molecular hydrogen.

Molecular Properties

Compound Nameethane;5-methyl-2-(7-oxo-1-oxa-8-azaspiro[2.5]octan-4-yl)isoindole-1,3-dione;molecular hydrogen
PubChem CID157028606
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Nameethane;5-methyl-2-(7-oxo-1-oxa-8-azaspiro[2.5]octan-4-yl)isoindole-1,3-dione;molecular hydrogen
SMILESCC.Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC13CO3)C2=O.[H][H]
InChIInChI=1S/C15H14N2O4.C2H6.H2/c1-8-2-3-9-10(6-8)14(20)17(13(9)19)11-4-5-12(18)16-15(11)7-21-15;1-2;/h2-3,6,11H,4-5,7H2,1H3,(H,16,18);1-2H3;1H
InChIKeyKWJHTZZVHHNUNS-UHFFFAOYSA-N
XLogP1.87
TPSA79.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze ethane;5-methyl-2-(7-oxo-1-oxa-8-azaspiro[2.5]octan-4-yl)isoindole-1,3-dione;molecular hydrogen with MolForge

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131
3-(5-methyl-1-methylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione
CID 170055897
2-(azepan-4-yl)-5-methylisoindole-1,3-dione
CID 107174334
2-cyclopropyl-5-methyl-3-methylideneisoindol-1-one
CID 142829652
2-(4,6-dioxo-5-azaspiro[2.5]octan-7-yl)-5-methylisoindole-1,3-dione
CID 165166632
ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155599247
2-(2,6-dioxopiperidin-3-yl)-5-(methylamino)isoindole-1,3-dione;ethane
CID 166535785
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
CID 144533118
CID 144533118
5-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 159256748
2-(2,5-dioxopyrrolidin-3-yl)-5-methylsulfanylisoindole-1,3-dione
CID 175620579
2-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-ylisoindole-1,3-dione;ethane
CID 142367515

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2-(7-oxo-1-oxa-8-azaspiro[2.5]octan-4-yl)isoindole-1,3-dione;molecular hydrogen?
The IUPAC name of ethane;5-methyl-2-(7-oxo-1-oxa-8-azaspiro[2.5]octan-4-yl)isoindole-1,3-dione;molecular hydrogen (CID 157028606) is ethane;5-methyl-2-(7-oxo-1-oxa-8-azaspiro[2.5]octan-4-yl)isoindole-1,3-dione;molecular hydrogen.
What is the SMILES notation for ethane;5-methyl-2-(7-oxo-1-oxa-8-azaspiro[2.5]octan-4-yl)isoindole-1,3-dione;molecular hydrogen?
The canonical SMILES for ethane;5-methyl-2-(7-oxo-1-oxa-8-azaspiro[2.5]octan-4-yl)isoindole-1,3-dione;molecular hydrogen is CC.Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC13CO3)C2=O.[H][H].
What is the InChIKey of ethane;5-methyl-2-(7-oxo-1-oxa-8-azaspiro[2.5]octan-4-yl)isoindole-1,3-dione;molecular hydrogen?
The InChIKey is KWJHTZZVHHNUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4.C2H6.H2/c1-8-2-3-9-10(6-8)14(20)17(13(9)19)11-4-5-12(18)16-15(11)7-21-15;1-2;/h2-3,6,11H,4-5,7H2,1H3,(H,16,18);1-2H3;1H.
What are the key properties of ethane;5-methyl-2-(7-oxo-1-oxa-8-azaspiro[2.5]octan-4-yl)isoindole-1,3-dione;molecular hydrogen?
ethane;5-methyl-2-(7-oxo-1-oxa-8-azaspiro[2.5]octan-4-yl)isoindole-1,3-dione;molecular hydrogen has a molecular weight of 318.37 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2-(7-oxo-1-oxa-8-azaspiro[2.5]octan-4-yl)isoindole-1,3-dione;molecular hydrogen is sourced from PubChem (CID 157028606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).