5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl pentanedioate

C11H15NO6 — CID 90760505

IUPAC5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl pentanedioate
SMILESCCOC(=O)CCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C11H15NO6/c1-2-17-10(15)4-3-5-11(16)18-12-8(13)6-7-9(12)14/h6-7,13-14H,2-5H2,1H3
InChIKeyIQFAEAIHOLGXHA-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.59
Rot. Bonds6

About 5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl pentanedioate

5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl pentanedioate (PubChem CID 90760505) has the molecular formula C11H15NO6 and a molecular weight of 257.24 g/mol. Its IUPAC name is 5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl pentanedioate.

Molecular Properties

Compound Name5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl pentanedioate
PubChem CID90760505
Molecular FormulaC11H15NO6
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl pentanedioate
SMILESCCOC(=O)CCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C11H15NO6/c1-2-17-10(15)4-3-5-11(16)18-12-8(13)6-7-9(12)14/h6-7,13-14H,2-5H2,1H3
InChIKeyIQFAEAIHOLGXHA-UHFFFAOYSA-N
XLogP0.59
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) acetate
CID 53633352
(2,5-Dihydroxypyrrol-1-yl) prop-2-enoate
CID 53643718
16-(2,5-Dihydroxypyrrol-1-yl)oxy-16-oxohexadecanoic acid
CID 53736124
(2,5-Dihydroxypyrrol-1-yl) hexanoate
CID 53776568
(2,5-Dihydroxypyrrol-1-yl) propanoate
CID 53941700
(2,5-Dihydroxypyrrol-1-yl) butanoate
CID 54133325
(2,5-Dihydroxypyrrol-1-yl) 2-methylprop-2-enoate
CID 54196822
(2,5-Dihydroxypyrrol-1-yl) 5-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypentyl carbonate
CID 54220759
(2,5-Dihydroxypyrrol-1-yl) hexadecanoate
CID 54247195
Bis(2,5-dihydroxypyrrol-1-yl) pentanedioate
CID 54387525
5-(2,5-Dihydroxypyrrol-1-yl)oxy-5-oxopentanoic acid
CID 54518514
Acetyl 2-(2,5-dihydroxypyrrol-1-yl)oxyacetate
CID 57240830

Frequently Asked Questions

What is the IUPAC name of 5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl pentanedioate?
The IUPAC name of 5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl pentanedioate (CID 90760505) is 5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl pentanedioate.
What is the SMILES notation for 5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl pentanedioate?
The canonical SMILES for 5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl pentanedioate is CCOC(=O)CCCC(=O)On1c(O)ccc1O.
What is the InChIKey of 5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl pentanedioate?
The InChIKey is IQFAEAIHOLGXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6/c1-2-17-10(15)4-3-5-11(16)18-12-8(13)6-7-9(12)14/h6-7,13-14H,2-5H2,1H3.
What are the key properties of 5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl pentanedioate?
5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl pentanedioate has a molecular weight of 257.24 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl pentanedioate is sourced from PubChem (CID 90760505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).