pyrrole-2,5-dione;2,2,6,6-tetramethylpiperidine

C13H22N2O2 — CID 161421450

IUPACpyrrole-2,5-dione;2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1.O=C1C=CC(=O)N1
InChIInChI=1S/C9H19N.C4H3NO2/c1-8(2)6-5-7-9(3,4)10-8;6-3-1-2-4(7)5-3/h10H,5-7H2,1-4H3;1-2H,(H,5,6,7)
InChIKeyVWUGBRNISFOPTM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.52
Rot. Bonds

About pyrrole-2,5-dione;2,2,6,6-tetramethylpiperidine

pyrrole-2,5-dione;2,2,6,6-tetramethylpiperidine (PubChem CID 161421450) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is pyrrole-2,5-dione;2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Namepyrrole-2,5-dione;2,2,6,6-tetramethylpiperidine
PubChem CID161421450
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Namepyrrole-2,5-dione;2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1.O=C1C=CC(=O)N1
InChIInChI=1S/C9H19N.C4H3NO2/c1-8(2)6-5-7-9(3,4)10-8;6-3-1-2-4(7)5-3/h10H,5-7H2,1-4H3;1-2H,(H,5,6,7)
InChIKeyVWUGBRNISFOPTM-UHFFFAOYSA-N
XLogP1.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 70372398
CID 70372398
magnesium;2,2,6,6-tetramethylpiperidine;chloride
CID 173066007
sulfuric acid;2,2,6,6-tetramethylpiperidine
CID 21127455
pyrrole-2,5-dione;sulfane
CID 87579772
methane;tetrakis(pyrrole-2,5-dione)
CID 173442855
hydron;pyrrole-2,5-dione;chloride
CID 66670805
pyrrole-2,5-dione;sulfur monoxide
CID 67998001
ethane-1,1-diol;pyrrole-2,5-dione
CID 129050540
propanoyl chloride;pyrrole-2,5-dione
CID 71339860
acetic acid;carbonocyanidic acid;bis(2,2,6,6-tetramethylpiperidine)
CID 175153115
4a,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
CID 565274
1-hydroxypiperidine;2,2,6,6-tetramethylpiperidine
CID 174589614

Frequently Asked Questions

What is the IUPAC name of pyrrole-2,5-dione;2,2,6,6-tetramethylpiperidine?
The IUPAC name of pyrrole-2,5-dione;2,2,6,6-tetramethylpiperidine (CID 161421450) is pyrrole-2,5-dione;2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for pyrrole-2,5-dione;2,2,6,6-tetramethylpiperidine?
The canonical SMILES for pyrrole-2,5-dione;2,2,6,6-tetramethylpiperidine is CC1(C)CCCC(C)(C)N1.O=C1C=CC(=O)N1.
What is the InChIKey of pyrrole-2,5-dione;2,2,6,6-tetramethylpiperidine?
The InChIKey is VWUGBRNISFOPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C4H3NO2/c1-8(2)6-5-7-9(3,4)10-8;6-3-1-2-4(7)5-3/h10H,5-7H2,1-4H3;1-2H,(H,5,6,7).
What are the key properties of pyrrole-2,5-dione;2,2,6,6-tetramethylpiperidine?
pyrrole-2,5-dione;2,2,6,6-tetramethylpiperidine has a molecular weight of 238.33 g/mol, XLogP of 1.52, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrole-2,5-dione;2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 161421450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).