4-[(1E,3E)-5-cyclopentyloxy-4-methoxyhexa-1,3-dienyl]pyrrolidin-2-one

C16H25NO3 — CID 22965853

IUPAC4-[(1E,3E)-5-cyclopentyloxy-4-methoxyhexa-1,3-dienyl]pyrrolidin-2-one
SMILESCO/C(=C/C=C/C1CNC(=O)C1)C(C)OC1CCCC1
InChIInChI=1S/C16H25NO3/c1-12(20-14-7-3-4-8-14)15(19-2)9-5-6-13-10-16(18)17-11-13/h5-6,9,12-14H,3-4,7-8,10-11H2,1-2H3,(H,17,18)/b6-5+,15-9+
InChIKeyDBPQMRIBHNQODQ-LODDJISYSA-N
MW279.38 g/mol
LogP2.56
Rot. Bonds6

About 4-[(1E,3E)-5-cyclopentyloxy-4-methoxyhexa-1,3-dienyl]pyrrolidin-2-one

4-[(1E,3E)-5-cyclopentyloxy-4-methoxyhexa-1,3-dienyl]pyrrolidin-2-one (PubChem CID 22965853) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[(1E,3E)-5-cyclopentyloxy-4-methoxyhexa-1,3-dienyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(1E,3E)-5-cyclopentyloxy-4-methoxyhexa-1,3-dienyl]pyrrolidin-2-one
PubChem CID22965853
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name4-[(1E,3E)-5-cyclopentyloxy-4-methoxyhexa-1,3-dienyl]pyrrolidin-2-one
SMILESCO/C(=C/C=C/C1CNC(=O)C1)C(C)OC1CCCC1
InChIInChI=1S/C16H25NO3/c1-12(20-14-7-3-4-8-14)15(19-2)9-5-6-13-10-16(18)17-11-13/h5-6,9,12-14H,3-4,7-8,10-11H2,1-2H3,(H,17,18)/b6-5+,15-9+
InChIKeyDBPQMRIBHNQODQ-LODDJISYSA-N
XLogP2.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1E,3E)-5-cyclopentyloxy-4-methoxyhexa-1,3-dienyl]pyrrolidin-2-one?
The IUPAC name of 4-[(1E,3E)-5-cyclopentyloxy-4-methoxyhexa-1,3-dienyl]pyrrolidin-2-one (CID 22965853) is 4-[(1E,3E)-5-cyclopentyloxy-4-methoxyhexa-1,3-dienyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[(1E,3E)-5-cyclopentyloxy-4-methoxyhexa-1,3-dienyl]pyrrolidin-2-one?
The canonical SMILES for 4-[(1E,3E)-5-cyclopentyloxy-4-methoxyhexa-1,3-dienyl]pyrrolidin-2-one is CO/C(=C/C=C/C1CNC(=O)C1)C(C)OC1CCCC1.
What is the InChIKey of 4-[(1E,3E)-5-cyclopentyloxy-4-methoxyhexa-1,3-dienyl]pyrrolidin-2-one?
The InChIKey is DBPQMRIBHNQODQ-LODDJISYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12(20-14-7-3-4-8-14)15(19-2)9-5-6-13-10-16(18)17-11-13/h5-6,9,12-14H,3-4,7-8,10-11H2,1-2H3,(H,17,18)/b6-5+,15-9+.
What are the key properties of 4-[(1E,3E)-5-cyclopentyloxy-4-methoxyhexa-1,3-dienyl]pyrrolidin-2-one?
4-[(1E,3E)-5-cyclopentyloxy-4-methoxyhexa-1,3-dienyl]pyrrolidin-2-one has a molecular weight of 279.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3E)-5-cyclopentyloxy-4-methoxyhexa-1,3-dienyl]pyrrolidin-2-one is sourced from PubChem (CID 22965853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).