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

C14H25NO3 — CID 11265317

IUPAC(5R)-1-(2-hydroxyethyl)-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one
SMILESCCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCO
InChIInChI=1S/C14H25NO3/c1-2-3-4-5-13(17)8-6-12-7-9-14(18)15(12)10-11-16/h6,8,12-13,16-17H,2-5,7,9-11H2,1H3/b8-6+/t12-,13-/m0/s1
InChIKeyVBTNFUIOMWRBFR-KELULYIISA-N
MW255.36 g/mol
LogP1.47
Rot. Bonds8

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

(5R)-1-(2-hydroxyethyl)-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one (PubChem CID 11265317) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (5R)-1-(2-hydroxyethyl)-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-(2-hydroxyethyl)-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one
PubChem CID11265317
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(5R)-1-(2-hydroxyethyl)-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one
SMILESCCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCO
InChIInChI=1S/C14H25NO3/c1-2-3-4-5-13(17)8-6-12-7-9-14(18)15(12)10-11-16/h6,8,12-13,16-17H,2-5,7,9-11H2,1H3/b8-6+/t12-,13-/m0/s1
InChIKeyVBTNFUIOMWRBFR-KELULYIISA-N
XLogP1.47
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
(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
5-[(E)-4,4-difluoro-3-hydroxy-3-methyloct-1-enyl]-1-(2,7-dihydroxyheptyl)pyrrolidin-2-one
CID 20455164
7-[2-(3-Hydroxy-3-methyl-4,4-difluoro-1-octen-1-yl)-5-oxopyrrolidin-1-yl]-1,6-heptanediol
CID 54337876
5-(4-Fluoro-3-hydroxy-4-methylhex-1-enyl)-1-propylpyrrolidin-2-one
CID 123958313
(5R)-3,3-difluoro-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one
CID 141392295
(5R)-3,3-difluoro-5-[(E,3R)-3-hydroxyoct-1-enyl]pyrrolidin-2-one
CID 141427029

Frequently Asked Questions

What is the IUPAC name of (5R)-1-(2-hydroxyethyl)-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one?
The IUPAC name of (5R)-1-(2-hydroxyethyl)-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one (CID 11265317) is (5R)-1-(2-hydroxyethyl)-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-(2-hydroxyethyl)-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-1-(2-hydroxyethyl)-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one is CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCO.
What is the InChIKey of (5R)-1-(2-hydroxyethyl)-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one?
The InChIKey is VBTNFUIOMWRBFR-KELULYIISA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-3-4-5-13(17)8-6-12-7-9-14(18)15(12)10-11-16/h6,8,12-13,16-17H,2-5,7,9-11H2,1H3/b8-6+/t12-,13-/m0/s1.
What are the key properties of (5R)-1-(2-hydroxyethyl)-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one?
(5R)-1-(2-hydroxyethyl)-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one has a molecular weight of 255.36 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(2-hydroxyethyl)-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one is sourced from PubChem (CID 11265317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).