1-(2-pyrrolidin-1-ylethyl)pyrrole-2,5-dione

C10H14N2O2 — CID 60977427

IUPAC1-(2-pyrrolidin-1-ylethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCN1CCCC1
InChIInChI=1S/C10H14N2O2/c13-9-3-4-10(14)12(9)8-7-11-5-1-2-6-11/h3-4H,1-2,5-8H2
InChIKeyWNQBIOGQXYGKCN-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.01
Rot. Bonds3

About 1-(2-pyrrolidin-1-ylethyl)pyrrole-2,5-dione

1-(2-pyrrolidin-1-ylethyl)pyrrole-2,5-dione (PubChem CID 60977427) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylethyl)pyrrole-2,5-dione
PubChem CID60977427
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(2-pyrrolidin-1-ylethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCN1CCCC1
InChIInChI=1S/C10H14N2O2/c13-9-3-4-10(14)12(9)8-7-11-5-1-2-6-11/h3-4H,1-2,5-8H2
InChIKeyWNQBIOGQXYGKCN-UHFFFAOYSA-N
XLogP0.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-Bis(maleimido)butane
CID 239576
Ethylenebismaleimide
CID 237509
N-Butylmaleimide
CID 239780
1-[2-(dimethylamino)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 10241184
Trimethylenebismaleimide
CID 239575
(E)-1,4-dipyrrolidin-1-ylbut-2-ene-1,4-dione
CID 5469016
1-[2-(2,5-Dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione
CID 162745275
N-(gamma-maleimidobutyryl)succinimide
CID 17961676
Bis-maleimidobutane
CID 129777139
Pentamethylenebismaleimide
CID 224410
1,2-Bis[2-oxo-1,5-dihydro-2h-pyrrol-1-yl]ethane
CID 129879874
1-[2-(Diethylamino)ethyl]pyrrole-2,5-dione
CID 217844

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-ylethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-pyrrolidin-1-ylethyl)pyrrole-2,5-dione (CID 60977427) is 1-(2-pyrrolidin-1-ylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-pyrrolidin-1-ylethyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1CCN1CCCC1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylethyl)pyrrole-2,5-dione?
The InChIKey is WNQBIOGQXYGKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-9-3-4-10(14)12(9)8-7-11-5-1-2-6-11/h3-4H,1-2,5-8H2.
What are the key properties of 1-(2-pyrrolidin-1-ylethyl)pyrrole-2,5-dione?
1-(2-pyrrolidin-1-ylethyl)pyrrole-2,5-dione has a molecular weight of 194.23 g/mol, XLogP of 0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-1-ylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 60977427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).