1-(1-ethoxyethyl)pyrrolidine-2,5-dione

C8H13NO3 — CID 21464467

IUPAC1-(1-ethoxyethyl)pyrrolidine-2,5-dione
SMILESCCOC(C)N1C(=O)CCC1=O
InChIInChI=1S/C8H13NO3/c1-3-12-6(2)9-7(10)4-5-8(9)11/h6H,3-5H2,1-2H3
InChIKeyDJTCPYXCRQUQLH-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.52
Rot. Bonds3

About 1-(1-ethoxyethyl)pyrrolidine-2,5-dione

1-(1-ethoxyethyl)pyrrolidine-2,5-dione (PubChem CID 21464467) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-(1-ethoxyethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(1-ethoxyethyl)pyrrolidine-2,5-dione
PubChem CID21464467
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name1-(1-ethoxyethyl)pyrrolidine-2,5-dione
SMILESCCOC(C)N1C(=O)CCC1=O
InChIInChI=1S/C8H13NO3/c1-3-12-6(2)9-7(10)4-5-8(9)11/h6H,3-5H2,1-2H3
InChIKeyDJTCPYXCRQUQLH-UHFFFAOYSA-N
XLogP0.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.52
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 1-(1-ethoxyethyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(1-ethoxyethyl)pyrrolidine-2,5-dione (CID 21464467) is 1-(1-ethoxyethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(1-ethoxyethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(1-ethoxyethyl)pyrrolidine-2,5-dione is CCOC(C)N1C(=O)CCC1=O.
What is the InChIKey of 1-(1-ethoxyethyl)pyrrolidine-2,5-dione?
The InChIKey is DJTCPYXCRQUQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-3-12-6(2)9-7(10)4-5-8(9)11/h6H,3-5H2,1-2H3.
What are the key properties of 1-(1-ethoxyethyl)pyrrolidine-2,5-dione?
1-(1-ethoxyethyl)pyrrolidine-2,5-dione has a molecular weight of 171.20 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 21464467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).