1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2,5-dione

C14H21NO2 — CID 6443498

IUPAC1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2,5-dione
SMILESCC(C)=CCC/C(C)=C/CN1C(=O)CCC1=O
InChIInChI=1S/C14H21NO2/c1-11(2)5-4-6-12(3)9-10-15-13(16)7-8-14(15)17/h5,9H,4,6-8,10H2,1-3H3/b12-9+
InChIKeyDOHHWSJQPNKWBM-FMIVXFBMSA-N
MW235.33 g/mol
LogP2.83
Rot. Bonds5

About 1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2,5-dione

1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2,5-dione (PubChem CID 6443498) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2,5-dione
PubChem CID6443498
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2,5-dione
SMILESCC(C)=CCC/C(C)=C/CN1C(=O)CCC1=O
InChIInChI=1S/C14H21NO2/c1-11(2)5-4-6-12(3)9-10-15-13(16)7-8-14(15)17/h5,9H,4,6-8,10H2,1-3H3/b12-9+
InChIKeyDOHHWSJQPNKWBM-FMIVXFBMSA-N
XLogP2.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.83
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 1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2,5-dione (CID 6443498) is 1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2,5-dione is CC(C)=CCC/C(C)=C/CN1C(=O)CCC1=O.
What is the InChIKey of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2,5-dione?
The InChIKey is DOHHWSJQPNKWBM-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(2)5-4-6-12(3)9-10-15-13(16)7-8-14(15)17/h5,9H,4,6-8,10H2,1-3H3/b12-9+.
What are the key properties of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2,5-dione?
1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2,5-dione has a molecular weight of 235.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 6443498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).