3-methyl-1-(1-methylpiperidin-3-yl)pyrrole-2,5-dione

C11H16N2O2 — CID 61221286

IUPAC3-methyl-1-(1-methylpiperidin-3-yl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(C2CCCN(C)C2)C1=O
InChIInChI=1S/C11H16N2O2/c1-8-6-10(14)13(11(8)15)9-4-3-5-12(2)7-9/h6,9H,3-5,7H2,1-2H3
InChIKeyCETNDQVDOCFEHH-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.40
Rot. Bonds1

About 3-methyl-1-(1-methylpiperidin-3-yl)pyrrole-2,5-dione

3-methyl-1-(1-methylpiperidin-3-yl)pyrrole-2,5-dione (PubChem CID 61221286) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-methyl-1-(1-methylpiperidin-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(1-methylpiperidin-3-yl)pyrrole-2,5-dione
PubChem CID61221286
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-methyl-1-(1-methylpiperidin-3-yl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(C2CCCN(C)C2)C1=O
InChIInChI=1S/C11H16N2O2/c1-8-6-10(14)13(11(8)15)9-4-3-5-12(2)7-9/h6,9H,3-5,7H2,1-2H3
InChIKeyCETNDQVDOCFEHH-UHFFFAOYSA-N
XLogP0.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.40
H-Bond Donors ≤ 50
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 3-methyl-1-(1-methylpiperidin-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-(1-methylpiperidin-3-yl)pyrrole-2,5-dione (CID 61221286) is 3-methyl-1-(1-methylpiperidin-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-(1-methylpiperidin-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-(1-methylpiperidin-3-yl)pyrrole-2,5-dione is CC1=CC(=O)N(C2CCCN(C)C2)C1=O.
What is the InChIKey of 3-methyl-1-(1-methylpiperidin-3-yl)pyrrole-2,5-dione?
The InChIKey is CETNDQVDOCFEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-6-10(14)13(11(8)15)9-4-3-5-12(2)7-9/h6,9H,3-5,7H2,1-2H3.
What are the key properties of 3-methyl-1-(1-methylpiperidin-3-yl)pyrrole-2,5-dione?
3-methyl-1-(1-methylpiperidin-3-yl)pyrrole-2,5-dione has a molecular weight of 208.26 g/mol, XLogP of 0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylpiperidin-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 61221286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).