(4R)-4-[(1E,3Z,5E)-6-cyclopentyloxy-1-methoxyhepta-1,3,5-trien-4-yl]pyrrolidin-2-one

C17H25NO3 — CID 142147648

IUPAC(4R)-4-[(1E,3Z,5E)-6-cyclopentyloxy-1-methoxyhepta-1,3,5-trien-4-yl]pyrrolidin-2-one
SMILESCO/C=C/C=C(\C=C(/C)OC1CCCC1)[C@@H]1CNC(=O)C1
InChIInChI=1S/C17H25NO3/c1-13(21-16-7-3-4-8-16)10-14(6-5-9-20-2)15-11-17(19)18-12-15/h5-6,9-10,15-16H,3-4,7-8,11-12H2,1-2H3,(H,18,19)/b9-5+,13-10+,14-6+/t15-/m0/s1
InChIKeyOLCRKTYXLOKZMH-BSPTYPQOSA-N
MW291.39 g/mol
LogP3.07
Rot. Bonds6

About (4R)-4-[(1E,3Z,5E)-6-cyclopentyloxy-1-methoxyhepta-1,3,5-trien-4-yl]pyrrolidin-2-one

(4R)-4-[(1E,3Z,5E)-6-cyclopentyloxy-1-methoxyhepta-1,3,5-trien-4-yl]pyrrolidin-2-one (PubChem CID 142147648) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (4R)-4-[(1E,3Z,5E)-6-cyclopentyloxy-1-methoxyhepta-1,3,5-trien-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1E,3Z,5E)-6-cyclopentyloxy-1-methoxyhepta-1,3,5-trien-4-yl]pyrrolidin-2-one
PubChem CID142147648
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(4R)-4-[(1E,3Z,5E)-6-cyclopentyloxy-1-methoxyhepta-1,3,5-trien-4-yl]pyrrolidin-2-one
SMILESCO/C=C/C=C(\C=C(/C)OC1CCCC1)[C@@H]1CNC(=O)C1
InChIInChI=1S/C17H25NO3/c1-13(21-16-7-3-4-8-16)10-14(6-5-9-20-2)15-11-17(19)18-12-15/h5-6,9-10,15-16H,3-4,7-8,11-12H2,1-2H3,(H,18,19)/b9-5+,13-10+,14-6+/t15-/m0/s1
InChIKeyOLCRKTYXLOKZMH-BSPTYPQOSA-N
XLogP3.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.07
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 (4R)-4-[(1E,3Z,5E)-6-cyclopentyloxy-1-methoxyhepta-1,3,5-trien-4-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1E,3Z,5E)-6-cyclopentyloxy-1-methoxyhepta-1,3,5-trien-4-yl]pyrrolidin-2-one (CID 142147648) is (4R)-4-[(1E,3Z,5E)-6-cyclopentyloxy-1-methoxyhepta-1,3,5-trien-4-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1E,3Z,5E)-6-cyclopentyloxy-1-methoxyhepta-1,3,5-trien-4-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1E,3Z,5E)-6-cyclopentyloxy-1-methoxyhepta-1,3,5-trien-4-yl]pyrrolidin-2-one is CO/C=C/C=C(\C=C(/C)OC1CCCC1)[C@@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1E,3Z,5E)-6-cyclopentyloxy-1-methoxyhepta-1,3,5-trien-4-yl]pyrrolidin-2-one?
The InChIKey is OLCRKTYXLOKZMH-BSPTYPQOSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(21-16-7-3-4-8-16)10-14(6-5-9-20-2)15-11-17(19)18-12-15/h5-6,9-10,15-16H,3-4,7-8,11-12H2,1-2H3,(H,18,19)/b9-5+,13-10+,14-6+/t15-/m0/s1.
What are the key properties of (4R)-4-[(1E,3Z,5E)-6-cyclopentyloxy-1-methoxyhepta-1,3,5-trien-4-yl]pyrrolidin-2-one?
(4R)-4-[(1E,3Z,5E)-6-cyclopentyloxy-1-methoxyhepta-1,3,5-trien-4-yl]pyrrolidin-2-one has a molecular weight of 291.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1E,3Z,5E)-6-cyclopentyloxy-1-methoxyhepta-1,3,5-trien-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 142147648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).