[(2E)-3,7-dimethylocta-2,6-dienyl] (2S)-5-oxopyrrolidine-2-carboxylate

C15H23NO3 — CID 22840764

IUPAC[(2E)-3,7-dimethylocta-2,6-dienyl] (2S)-5-oxopyrrolidine-2-carboxylate
SMILESCC(C)=CCC/C(C)=C/COC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C15H23NO3/c1-11(2)5-4-6-12(3)9-10-19-15(18)13-7-8-14(17)16-13/h5,9,13H,4,6-8,10H2,1-3H3,(H,16,17)/b12-9+/t13-/m0/s1
InChIKeyFFPMVCGLQVJUJY-SRXBQZRASA-N
MW265.35 g/mol
LogP2.50
Rot. Bonds6

About [(2E)-3,7-dimethylocta-2,6-dienyl] (2S)-5-oxopyrrolidine-2-carboxylate

[(2E)-3,7-dimethylocta-2,6-dienyl] (2S)-5-oxopyrrolidine-2-carboxylate (PubChem CID 22840764) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is [(2E)-3,7-dimethylocta-2,6-dienyl] (2S)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[(2E)-3,7-dimethylocta-2,6-dienyl] (2S)-5-oxopyrrolidine-2-carboxylate
PubChem CID22840764
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name[(2E)-3,7-dimethylocta-2,6-dienyl] (2S)-5-oxopyrrolidine-2-carboxylate
SMILESCC(C)=CCC/C(C)=C/COC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C15H23NO3/c1-11(2)5-4-6-12(3)9-10-19-15(18)13-7-8-14(17)16-13/h5,9,13H,4,6-8,10H2,1-3H3,(H,16,17)/b12-9+/t13-/m0/s1
InChIKeyFFPMVCGLQVJUJY-SRXBQZRASA-N
XLogP2.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienyl] (2S)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienyl] (2S)-5-oxopyrrolidine-2-carboxylate (CID 22840764) is [(2E)-3,7-dimethylocta-2,6-dienyl] (2S)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for [(2E)-3,7-dimethylocta-2,6-dienyl] (2S)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for [(2E)-3,7-dimethylocta-2,6-dienyl] (2S)-5-oxopyrrolidine-2-carboxylate is CC(C)=CCC/C(C)=C/COC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of [(2E)-3,7-dimethylocta-2,6-dienyl] (2S)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is FFPMVCGLQVJUJY-SRXBQZRASA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)5-4-6-12(3)9-10-19-15(18)13-7-8-14(17)16-13/h5,9,13H,4,6-8,10H2,1-3H3,(H,16,17)/b12-9+/t13-/m0/s1.
What are the key properties of [(2E)-3,7-dimethylocta-2,6-dienyl] (2S)-5-oxopyrrolidine-2-carboxylate?
[(2E)-3,7-dimethylocta-2,6-dienyl] (2S)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-3,7-dimethylocta-2,6-dienyl] (2S)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 22840764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).