3-[(E)-dec-2-enyl]pyrrolidine-2,5-dione

C14H23NO2 — CID 10466690

IUPAC3-[(E)-dec-2-enyl]pyrrolidine-2,5-dione
SMILESCCCCCCC/C=C/CC1CC(=O)NC1=O
InChIInChI=1S/C14H23NO2/c1-2-3-4-5-6-7-8-9-10-12-11-13(16)15-14(12)17/h8-9,12H,2-7,10-11H2,1H3,(H,15,16,17)/b9-8+
InChIKeyJNEMIKDTGXTWPK-CMDGGOBGSA-N
MW237.34 g/mol
LogP2.96
Rot. Bonds8

About 3-[(E)-dec-2-enyl]pyrrolidine-2,5-dione

3-[(E)-dec-2-enyl]pyrrolidine-2,5-dione (PubChem CID 10466690) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-[(E)-dec-2-enyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(E)-dec-2-enyl]pyrrolidine-2,5-dione
PubChem CID10466690
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-[(E)-dec-2-enyl]pyrrolidine-2,5-dione
SMILESCCCCCCC/C=C/CC1CC(=O)NC1=O
InChIInChI=1S/C14H23NO2/c1-2-3-4-5-6-7-8-9-10-12-11-13(16)15-14(12)17/h8-9,12H,2-7,10-11H2,1H3,(H,15,16,17)/b9-8+
InChIKeyJNEMIKDTGXTWPK-CMDGGOBGSA-N
XLogP2.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 3-[(E)-dec-2-enyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(E)-dec-2-enyl]pyrrolidine-2,5-dione (CID 10466690) is 3-[(E)-dec-2-enyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(E)-dec-2-enyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(E)-dec-2-enyl]pyrrolidine-2,5-dione is CCCCCCC/C=C/CC1CC(=O)NC1=O.
What is the InChIKey of 3-[(E)-dec-2-enyl]pyrrolidine-2,5-dione?
The InChIKey is JNEMIKDTGXTWPK-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-3-4-5-6-7-8-9-10-12-11-13(16)15-14(12)17/h8-9,12H,2-7,10-11H2,1H3,(H,15,16,17)/b9-8+.
What are the key properties of 3-[(E)-dec-2-enyl]pyrrolidine-2,5-dione?
3-[(E)-dec-2-enyl]pyrrolidine-2,5-dione has a molecular weight of 237.34 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-dec-2-enyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 10466690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).