3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione

C12H18N2O2 — CID 60976838

IUPAC3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(CCCN2CCCC2)C1=O
InChIInChI=1S/C12H18N2O2/c1-10-9-11(15)14(12(10)16)8-4-7-13-5-2-3-6-13/h9H,2-8H2,1H3
InChIKeyNYLOXZABGUWFGK-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.79
Rot. Bonds4

About 3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione

3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione (PubChem CID 60976838) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione
PubChem CID60976838
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(CCCN2CCCC2)C1=O
InChIInChI=1S/C12H18N2O2/c1-10-9-11(15)14(12(10)16)8-4-7-13-5-2-3-6-13/h9H,2-8H2,1H3
InChIKeyNYLOXZABGUWFGK-UHFFFAOYSA-N
XLogP0.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.79
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-(3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione (CID 60976838) is 3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione is CC1=CC(=O)N(CCCN2CCCC2)C1=O.
What is the InChIKey of 3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione?
The InChIKey is NYLOXZABGUWFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-10-9-11(15)14(12(10)16)8-4-7-13-5-2-3-6-13/h9H,2-8H2,1H3.
What are the key properties of 3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione?
3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione has a molecular weight of 222.29 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione is sourced from PubChem (CID 60976838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).