3-(2-ethoxyethylamino)pyrrolidine-2,5-dione

C8H14N2O3 — CID 43637926

IUPAC3-(2-ethoxyethylamino)pyrrolidine-2,5-dione
SMILESCCOCCNC1CC(=O)NC1=O
InChIInChI=1S/C8H14N2O3/c1-2-13-4-3-9-6-5-7(11)10-8(6)12/h6,9H,2-5H2,1H3,(H,10,11,12)
InChIKeyNRXZRPFGYPDPSH-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.97
Rot. Bonds5

About 3-(2-ethoxyethylamino)pyrrolidine-2,5-dione

3-(2-ethoxyethylamino)pyrrolidine-2,5-dione (PubChem CID 43637926) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-(2-ethoxyethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-ethoxyethylamino)pyrrolidine-2,5-dione
PubChem CID43637926
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name3-(2-ethoxyethylamino)pyrrolidine-2,5-dione
SMILESCCOCCNC1CC(=O)NC1=O
InChIInChI=1S/C8H14N2O3/c1-2-13-4-3-9-6-5-7(11)10-8(6)12/h6,9H,2-5H2,1H3,(H,10,11,12)
InChIKeyNRXZRPFGYPDPSH-UHFFFAOYSA-N
XLogP-0.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-ethoxyethylamino)pyrrolidine-2,5-dione (CID 43637926) is 3-(2-ethoxyethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-ethoxyethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-ethoxyethylamino)pyrrolidine-2,5-dione is CCOCCNC1CC(=O)NC1=O.
What is the InChIKey of 3-(2-ethoxyethylamino)pyrrolidine-2,5-dione?
The InChIKey is NRXZRPFGYPDPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-2-13-4-3-9-6-5-7(11)10-8(6)12/h6,9H,2-5H2,1H3,(H,10,11,12).
What are the key properties of 3-(2-ethoxyethylamino)pyrrolidine-2,5-dione?
3-(2-ethoxyethylamino)pyrrolidine-2,5-dione has a molecular weight of 186.21 g/mol, XLogP of -0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43637926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).