(5R)-1-ethyl-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one

C14H25NO2 — CID 141060670

IUPAC(5R)-1-ethyl-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one
SMILESCCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CC
InChIInChI=1S/C14H25NO2/c1-3-5-6-7-13(16)10-8-12-9-11-14(17)15(12)4-2/h8,10,12-13,16H,3-7,9,11H2,1-2H3/b10-8+/t12-,13-/m0/s1
InChIKeyYPRNBANZWULUSZ-SOWQLTKDSA-N
MW239.36 g/mol
LogP2.49
Rot. Bonds7

About (5R)-1-ethyl-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one

(5R)-1-ethyl-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one (PubChem CID 141060670) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (5R)-1-ethyl-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-ethyl-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one
PubChem CID141060670
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(5R)-1-ethyl-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one
SMILESCCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CC
InChIInChI=1S/C14H25NO2/c1-3-5-6-7-13(16)10-8-12-9-11-14(17)15(12)4-2/h8,10,12-13,16H,3-7,9,11H2,1-2H3/b10-8+/t12-,13-/m0/s1
InChIKeyYPRNBANZWULUSZ-SOWQLTKDSA-N
XLogP2.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.49
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'}

Analyze (5R)-1-ethyl-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one with MolForge

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Related Compounds

8-aza-11-deoxyprostaglandin E1
CID 44289922
7-[(5R)-3,3-difluoro-5-[(E,3S)-3-hydroxyoct-1-enyl]-2-oxopyrrolidin-1-yl]heptanoic acid
CID 72950089
(E)-7-[(1R,2S,3R)-3-Hydroxy-2-((E)-(S)-3-hydroxy-oct-1-enyl)-5-oxo-pyrrolidin-1-yl]-hept-5-enoic acid
CID 44290266
7-[(R)-2-((E)-3-Hydroxy-oct-1-enyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid
CID 13230981
7-[(S)-2-((E)-3-Hydroxy-oct-1-enyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid
CID 44269542
7-[(R)-2-((E)-(R)-3-Hydroxy-oct-1-enyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid
CID 44289980
11-Deoxy-8-azaprostaglandin E(1)
CID 6453527
7-[(S)-2-((E)-(S)-3-Hydroxy-oct-1-enyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid
CID 44290245
7-[2-[(E)-4,4-difluoro-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]heptanoic acid
CID 13025449
7-[(5R)-3,3-difluoro-5-[(E,3R)-3-hydroxyoct-1-enyl]-2-oxopyrrolidin-1-yl]heptanoic acid
CID 72950256
7-[3,3-difluoro-5-[(E)-3-hydroxyoct-1-enyl]-2-oxopyrrolidin-1-yl]heptanoic acid
CID 90025434
7-[(5R)-3,3-difluoro-5-[(3R)-3-hydroxyoct-1-enyl]-2-oxopyrrolidin-1-yl]heptanoic acid
CID 118160306

Frequently Asked Questions

What is the IUPAC name of (5R)-1-ethyl-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one?
The IUPAC name of (5R)-1-ethyl-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one (CID 141060670) is (5R)-1-ethyl-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-ethyl-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-1-ethyl-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one is CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CC.
What is the InChIKey of (5R)-1-ethyl-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one?
The InChIKey is YPRNBANZWULUSZ-SOWQLTKDSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-5-6-7-13(16)10-8-12-9-11-14(17)15(12)4-2/h8,10,12-13,16H,3-7,9,11H2,1-2H3/b10-8+/t12-,13-/m0/s1.
What are the key properties of (5R)-1-ethyl-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one?
(5R)-1-ethyl-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one has a molecular weight of 239.36 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-ethyl-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one is sourced from PubChem (CID 141060670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).