(5R)-1-but-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one

C16H27NO2 — CID 141060676

IUPAC(5R)-1-but-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one
SMILESCC=CCN1C(=O)CC[C@@H]1/C=C/C(O)CCCCC
InChIInChI=1S/C16H27NO2/c1-3-5-7-8-15(18)11-9-14-10-12-16(19)17(14)13-6-4-2/h4,6,9,11,14-15,18H,3,5,7-8,10,12-13H2,1-2H3/b6-4?,11-9+/t14-,15?/m0/s1
InChIKeyHIFPOUBOHVKNFI-YZPXSLMZSA-N
MW265.40 g/mol
LogP3.05
Rot. Bonds8

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

(5R)-1-but-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one (PubChem CID 141060676) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is (5R)-1-but-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-but-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one
PubChem CID141060676
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name(5R)-1-but-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one
SMILESCC=CCN1C(=O)CC[C@@H]1/C=C/C(O)CCCCC
InChIInChI=1S/C16H27NO2/c1-3-5-7-8-15(18)11-9-14-10-12-16(19)17(14)13-6-4-2/h4,6,9,11,14-15,18H,3,5,7-8,10,12-13H2,1-2H3/b6-4?,11-9+/t14-,15?/m0/s1
InChIKeyHIFPOUBOHVKNFI-YZPXSLMZSA-N
XLogP3.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.05
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'}

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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
2-(2-((R)-2-((S,E)-3-hydroxyoct-1-enyl)-5-oxopyrrolidin-1-yl)ethylthio)acetic acid
CID 11255960
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

Frequently Asked Questions

What is the IUPAC name of (5R)-1-but-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one?
The IUPAC name of (5R)-1-but-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one (CID 141060676) is (5R)-1-but-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-but-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-1-but-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one is CC=CCN1C(=O)CC[C@@H]1/C=C/C(O)CCCCC.
What is the InChIKey of (5R)-1-but-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one?
The InChIKey is HIFPOUBOHVKNFI-YZPXSLMZSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-5-7-8-15(18)11-9-14-10-12-16(19)17(14)13-6-4-2/h4,6,9,11,14-15,18H,3,5,7-8,10,12-13H2,1-2H3/b6-4?,11-9+/t14-,15?/m0/s1.
What are the key properties of (5R)-1-but-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one?
(5R)-1-but-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one has a molecular weight of 265.40 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-but-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one is sourced from PubChem (CID 141060676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).