1-ethylpyrrolidine-2,5-dione

C6H9NO2 — CID 16842

IUPAC1-ethylpyrrolidine-2,5-dione
SMILESCCN1C(=O)CCC1=O
InChIInChI=1S/C6H9NO2/c1-2-7-5(8)3-4-6(7)9/h2-4H2,1H3
InChIKeyGHAZCVNUKKZTLG-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.16
Rot. Bonds1

About 1-ethylpyrrolidine-2,5-dione

1-ethylpyrrolidine-2,5-dione (PubChem CID 16842) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 1-ethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethylpyrrolidine-2,5-dione
PubChem CID16842
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name1-ethylpyrrolidine-2,5-dione
SMILESCCN1C(=O)CCC1=O
InChIInChI=1S/C6H9NO2/c1-2-7-5(8)3-4-6(7)9/h2-4H2,1H3
InChIKeyGHAZCVNUKKZTLG-UHFFFAOYSA-N
XLogP0.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-pyrrolidone
CID 13387
N-ethyl-2-pyrrolidone
CID 17595
N-Methylsuccinimide
CID 70717
2-Pyrrolidinone, 1-butyl-
CID 18984
1-Pentyl-2,5-pyrrolidinedione
CID 79245
2-Pyrrolidinone, 1-acetyl-
CID 70266
N-Isopropylbutyrolactam
CID 77392
1,3-Dimethylpyrrolidin-2-one
CID 209257
2-Pyrrolidinone, 1-(1-methylpropyl)-
CID 11989721
1-Butylpyrrolidine-2,5-dione
CID 137956
Pyrrolidine, 1-(1-oxobutyl)-
CID 303117
1-Propyl-pyrrolidin-2-one
CID 566544

Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrrolidine-2,5-dione?
The IUPAC name of 1-ethylpyrrolidine-2,5-dione (CID 16842) is 1-ethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-ethylpyrrolidine-2,5-dione is CCN1C(=O)CCC1=O.
What is the InChIKey of 1-ethylpyrrolidine-2,5-dione?
The InChIKey is GHAZCVNUKKZTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-7-5(8)3-4-6(7)9/h2-4H2,1H3.
What are the key properties of 1-ethylpyrrolidine-2,5-dione?
1-ethylpyrrolidine-2,5-dione has a molecular weight of 127.14 g/mol, XLogP of 0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrrolidine-2,5-dione is sourced from PubChem (CID 16842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).