2-(2,5-dioxopyrrol-1-yl)ethyl 6-hydroxyhexanoate

C12H17NO5 — CID 122577668

IUPAC2-(2,5-dioxopyrrol-1-yl)ethyl 6-hydroxyhexanoate
SMILESO=C(CCCCCO)OCCN1C(=O)C=CC1=O
InChIInChI=1S/C12H17NO5/c14-8-3-1-2-4-12(17)18-9-7-13-10(15)5-6-11(13)16/h5-6,14H,1-4,7-9H2
InChIKeyGUMVUGSQNHZYJC-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.01
Rot. Bonds8

About 2-(2,5-dioxopyrrol-1-yl)ethyl 6-hydroxyhexanoate

2-(2,5-dioxopyrrol-1-yl)ethyl 6-hydroxyhexanoate (PubChem CID 122577668) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)ethyl 6-hydroxyhexanoate.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)ethyl 6-hydroxyhexanoate
PubChem CID122577668
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name2-(2,5-dioxopyrrol-1-yl)ethyl 6-hydroxyhexanoate
SMILESO=C(CCCCCO)OCCN1C(=O)C=CC1=O
InChIInChI=1S/C12H17NO5/c14-8-3-1-2-4-12(17)18-9-7-13-10(15)5-6-11(13)16/h5-6,14H,1-4,7-9H2
InChIKeyGUMVUGSQNHZYJC-UHFFFAOYSA-N
XLogP0.01
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]butyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 22084354
2-[3-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethyl]-5-(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 58986530
1-(10-hydroxydecyl)pyrrole-2,5-dione
CID 68660027
pentyl 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 69338003
bis(10-hydroxydecyl) tetradecanedioate
CID 171852033
bis(7-hydroxyheptyl) icosanedioate
CID 91383667
bis(4-hydroxybutyl) octanedioate
CID 58519863
10-(2,5-dioxopyrrol-1-yl)decanamide
CID 134211555
azanide;carbonic acid;dichloroplatinum(2+);4-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-4-oxobutanoic acid
CID 153280176
6-(6-hydroxyhexanoyloxy)hexyl 6-hydroxyhexanoate;methane
CID 158211085
2-[3,5-bis[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl 6-(2-oxopyrrolidin-1-yl)hexanoate
CID 123671360
bis(2-hydroxyethyl) heptanedioate
CID 58519890

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)ethyl 6-hydroxyhexanoate?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)ethyl 6-hydroxyhexanoate (CID 122577668) is 2-(2,5-dioxopyrrol-1-yl)ethyl 6-hydroxyhexanoate.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)ethyl 6-hydroxyhexanoate?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)ethyl 6-hydroxyhexanoate is O=C(CCCCCO)OCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)ethyl 6-hydroxyhexanoate?
The InChIKey is GUMVUGSQNHZYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c14-8-3-1-2-4-12(17)18-9-7-13-10(15)5-6-11(13)16/h5-6,14H,1-4,7-9H2.
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)ethyl 6-hydroxyhexanoate?
2-(2,5-dioxopyrrol-1-yl)ethyl 6-hydroxyhexanoate has a molecular weight of 255.27 g/mol, XLogP of 0.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)ethyl 6-hydroxyhexanoate is sourced from PubChem (CID 122577668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).