ethane;7-methylspiro[2H-1-benzofuran-3,3'-piperidine]-2',6'-dione

C15H19NO3 — CID 177180233

IUPACethane;7-methylspiro[2H-1-benzofuran-3,3'-piperidine]-2',6'-dione
SMILESCC.Cc1cccc2c1OCC21CCC(=O)NC1=O
InChIInChI=1S/C13H13NO3.C2H6/c1-8-3-2-4-9-11(8)17-7-13(9)6-5-10(15)14-12(13)16;1-2/h2-4H,5-7H2,1H3,(H,14,15,16);1-2H3
InChIKeyOQIAYIRZBJEEKV-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.09
Rot. Bonds

About ethane;7-methylspiro[2H-1-benzofuran-3,3'-piperidine]-2',6'-dione

ethane;7-methylspiro[2H-1-benzofuran-3,3'-piperidine]-2',6'-dione (PubChem CID 177180233) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethane;7-methylspiro[2H-1-benzofuran-3,3'-piperidine]-2',6'-dione.

Molecular Properties

Compound Nameethane;7-methylspiro[2H-1-benzofuran-3,3'-piperidine]-2',6'-dione
PubChem CID177180233
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nameethane;7-methylspiro[2H-1-benzofuran-3,3'-piperidine]-2',6'-dione
SMILESCC.Cc1cccc2c1OCC21CCC(=O)NC1=O
InChIInChI=1S/C13H13NO3.C2H6/c1-8-3-2-4-9-11(8)17-7-13(9)6-5-10(15)14-12(13)16;1-2/h2-4H,5-7H2,1H3,(H,14,15,16);1-2H3
InChIKeyOQIAYIRZBJEEKV-UHFFFAOYSA-N
XLogP2.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;7-methylspiro[2H-1-benzofuran-3,3'-piperidine]-2',6'-dione?
The IUPAC name of ethane;7-methylspiro[2H-1-benzofuran-3,3'-piperidine]-2',6'-dione (CID 177180233) is ethane;7-methylspiro[2H-1-benzofuran-3,3'-piperidine]-2',6'-dione.
What is the SMILES notation for ethane;7-methylspiro[2H-1-benzofuran-3,3'-piperidine]-2',6'-dione?
The canonical SMILES for ethane;7-methylspiro[2H-1-benzofuran-3,3'-piperidine]-2',6'-dione is CC.Cc1cccc2c1OCC21CCC(=O)NC1=O.
What is the InChIKey of ethane;7-methylspiro[2H-1-benzofuran-3,3'-piperidine]-2',6'-dione?
The InChIKey is OQIAYIRZBJEEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3.C2H6/c1-8-3-2-4-9-11(8)17-7-13(9)6-5-10(15)14-12(13)16;1-2/h2-4H,5-7H2,1H3,(H,14,15,16);1-2H3.
What are the key properties of ethane;7-methylspiro[2H-1-benzofuran-3,3'-piperidine]-2',6'-dione?
ethane;7-methylspiro[2H-1-benzofuran-3,3'-piperidine]-2',6'-dione has a molecular weight of 261.32 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methylspiro[2H-1-benzofuran-3,3'-piperidine]-2',6'-dione is sourced from PubChem (CID 177180233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).