3-[(1-ethylcyclopropyl)amino]pyrrolidine-2,5-dione

C9H14N2O2 — CID 130834825

IUPAC3-[(1-ethylcyclopropyl)amino]pyrrolidine-2,5-dione
SMILESCCC1(NC2CC(=O)NC2=O)CC1
InChIInChI=1S/C9H14N2O2/c1-2-9(3-4-9)11-6-5-7(12)10-8(6)13/h6,11H,2-5H2,1H3,(H,10,12,13)
InChIKeyDUQNJLNNDQMVJH-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.07
Rot. Bonds3

About 3-[(1-ethylcyclopropyl)amino]pyrrolidine-2,5-dione

3-[(1-ethylcyclopropyl)amino]pyrrolidine-2,5-dione (PubChem CID 130834825) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-[(1-ethylcyclopropyl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(1-ethylcyclopropyl)amino]pyrrolidine-2,5-dione
PubChem CID130834825
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-[(1-ethylcyclopropyl)amino]pyrrolidine-2,5-dione
SMILESCCC1(NC2CC(=O)NC2=O)CC1
InChIInChI=1S/C9H14N2O2/c1-2-9(3-4-9)11-6-5-7(12)10-8(6)13/h6,11H,2-5H2,1H3,(H,10,12,13)
InChIKeyDUQNJLNNDQMVJH-UHFFFAOYSA-N
XLogP-0.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
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-[(1-ethylcyclopropyl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(1-ethylcyclopropyl)amino]pyrrolidine-2,5-dione (CID 130834825) is 3-[(1-ethylcyclopropyl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(1-ethylcyclopropyl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(1-ethylcyclopropyl)amino]pyrrolidine-2,5-dione is CCC1(NC2CC(=O)NC2=O)CC1.
What is the InChIKey of 3-[(1-ethylcyclopropyl)amino]pyrrolidine-2,5-dione?
The InChIKey is DUQNJLNNDQMVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-9(3-4-9)11-6-5-7(12)10-8(6)13/h6,11H,2-5H2,1H3,(H,10,12,13).
What are the key properties of 3-[(1-ethylcyclopropyl)amino]pyrrolidine-2,5-dione?
3-[(1-ethylcyclopropyl)amino]pyrrolidine-2,5-dione has a molecular weight of 182.22 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylcyclopropyl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 130834825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).