3-(3-methylpyrrolidin-1-yl)piperidine-2,6-dione

C10H16N2O2 — CID 138467227

IUPAC3-(3-methylpyrrolidin-1-yl)piperidine-2,6-dione
SMILESCC1CCN(C2CCC(=O)NC2=O)C1
InChIInChI=1S/C10H16N2O2/c1-7-4-5-12(6-7)8-2-3-9(13)11-10(8)14/h7-8H,2-6H2,1H3,(H,11,13,14)
InChIKeyMSHPZTPMPXUGBL-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.13
Rot. Bonds1

About 3-(3-methylpyrrolidin-1-yl)piperidine-2,6-dione

3-(3-methylpyrrolidin-1-yl)piperidine-2,6-dione (PubChem CID 138467227) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(3-methylpyrrolidin-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-methylpyrrolidin-1-yl)piperidine-2,6-dione
PubChem CID138467227
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(3-methylpyrrolidin-1-yl)piperidine-2,6-dione
SMILESCC1CCN(C2CCC(=O)NC2=O)C1
InChIInChI=1S/C10H16N2O2/c1-7-4-5-12(6-7)8-2-3-9(13)11-10(8)14/h7-8H,2-6H2,1H3,(H,11,13,14)
InChIKeyMSHPZTPMPXUGBL-UHFFFAOYSA-N
XLogP0.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.13
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 3-(3-methylpyrrolidin-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3-methylpyrrolidin-1-yl)piperidine-2,6-dione (CID 138467227) is 3-(3-methylpyrrolidin-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-methylpyrrolidin-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3-methylpyrrolidin-1-yl)piperidine-2,6-dione is CC1CCN(C2CCC(=O)NC2=O)C1.
What is the InChIKey of 3-(3-methylpyrrolidin-1-yl)piperidine-2,6-dione?
The InChIKey is MSHPZTPMPXUGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7-4-5-12(6-7)8-2-3-9(13)11-10(8)14/h7-8H,2-6H2,1H3,(H,11,13,14).
What are the key properties of 3-(3-methylpyrrolidin-1-yl)piperidine-2,6-dione?
3-(3-methylpyrrolidin-1-yl)piperidine-2,6-dione has a molecular weight of 196.25 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrrolidin-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 138467227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).