ethene;1-ethylpyrrolidine-2,5-dione

C8H13NO2 — CID 143516533

IUPACethene;1-ethylpyrrolidine-2,5-dione
SMILESC=C.CCN1C(=O)CCC1=O
InChIInChI=1S/C6H9NO2.C2H4/c1-2-7-5(8)3-4-6(7)9;1-2/h2-4H2,1H3;1-2H2
InChIKeyWRTVJUOPFHVYTD-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.96
Rot. Bonds1

About ethene;1-ethylpyrrolidine-2,5-dione

ethene;1-ethylpyrrolidine-2,5-dione (PubChem CID 143516533) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is ethene;1-ethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Nameethene;1-ethylpyrrolidine-2,5-dione
PubChem CID143516533
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Nameethene;1-ethylpyrrolidine-2,5-dione
SMILESC=C.CCN1C(=O)CCC1=O
InChIInChI=1S/C6H9NO2.C2H4/c1-2-7-5(8)3-4-6(7)9;1-2/h2-4H2,1H3;1-2H2
InChIKeyWRTVJUOPFHVYTD-UHFFFAOYSA-N
XLogP0.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;1-ethylpyrrolidine-2,5-dione?
The IUPAC name of ethene;1-ethylpyrrolidine-2,5-dione (CID 143516533) is ethene;1-ethylpyrrolidine-2,5-dione.
What is the SMILES notation for ethene;1-ethylpyrrolidine-2,5-dione?
The canonical SMILES for ethene;1-ethylpyrrolidine-2,5-dione is C=C.CCN1C(=O)CCC1=O.
What is the InChIKey of ethene;1-ethylpyrrolidine-2,5-dione?
The InChIKey is WRTVJUOPFHVYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2.C2H4/c1-2-7-5(8)3-4-6(7)9;1-2/h2-4H2,1H3;1-2H2.
What are the key properties of ethene;1-ethylpyrrolidine-2,5-dione?
ethene;1-ethylpyrrolidine-2,5-dione has a molecular weight of 155.20 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-ethylpyrrolidine-2,5-dione is sourced from PubChem (CID 143516533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).