(2,5-dihydroxypyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)hexanoate

C14H16N2O6 — CID 90703227

IUPAC(2,5-dihydroxypyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESCCCC(CC(=O)On1c(O)ccc1O)N1C(=O)C=CC1=O
InChIInChI=1S/C14H16N2O6/c1-2-3-9(15-10(17)4-5-11(15)18)8-14(21)22-16-12(19)6-7-13(16)20/h4-7,9,19-20H,2-3,8H2,1H3
InChIKeyBKCSUFDYXZBOQQ-UHFFFAOYSA-N
MW308.29 g/mol
LogP0.34
Rot. Bonds6

About (2,5-dihydroxypyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)hexanoate

(2,5-dihydroxypyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)hexanoate (PubChem CID 90703227) has the molecular formula C14H16N2O6 and a molecular weight of 308.29 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)hexanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)hexanoate
PubChem CID90703227
Molecular FormulaC14H16N2O6
Molecular Weight308.29 g/mol
Exact Mass308.10
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESCCCC(CC(=O)On1c(O)ccc1O)N1C(=O)C=CC1=O
InChIInChI=1S/C14H16N2O6/c1-2-3-9(15-10(17)4-5-11(15)18)8-14(21)22-16-12(19)6-7-13(16)20/h4-7,9,19-20H,2-3,8H2,1H3
InChIKeyBKCSUFDYXZBOQQ-UHFFFAOYSA-N
XLogP0.34
TPSA109.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 54541577
(2,5-Dihydroxypyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 53720774
(2,5-Dihydroxypyrrol-1-yl) hexanoate
CID 53776568
(2,5-Dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 53902524
(2,5-Dihydroxypyrrol-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 54539923
(2,5-Dihydroxypyrrol-1-yl) 6-(6-deuteriohexan-2-ylamino)-6-oxohexanoate
CID 91158670
(2,5-Dihydroxypyrrol-1-yl) 6-formamidohexanoate
CID 53633447
(2,5-Dioxopyrrol-1-yl) 2-(2,5-dihydroxypyrrol-1-yl)propanoate
CID 53638151
(2,5-Dihydroxypyrrol-1-yl) 4-[6-(prop-2-enoylamino)hexanoylamino]butanoate
CID 53710762
(2,5-Dihydroxypyrrol-1-yl) 6-(2-methylprop-2-enoylamino)hexanoate
CID 53745223
(2,5-Dihydroxypyrrol-1-yl) 6-[(2-iodoacetyl)amino]hexanoate
CID 53775544
(2,5-Dihydroxypyrrol-1-yl) 1-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 53806879

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)hexanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)hexanoate (CID 90703227) is (2,5-dihydroxypyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)hexanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)hexanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)hexanoate is CCCC(CC(=O)On1c(O)ccc1O)N1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)hexanoate?
The InChIKey is BKCSUFDYXZBOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O6/c1-2-3-9(15-10(17)4-5-11(15)18)8-14(21)22-16-12(19)6-7-13(16)20/h4-7,9,19-20H,2-3,8H2,1H3.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)hexanoate?
(2,5-dihydroxypyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)hexanoate has a molecular weight of 308.29 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)hexanoate is sourced from PubChem (CID 90703227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).