(2,5-dihydroxypyrrol-1-yl) cyclohexanecarboxylate

C11H15NO4 — CID 54148134

IUPAC(2,5-dihydroxypyrrol-1-yl) cyclohexanecarboxylate
SMILESO=C(On1c(O)ccc1O)C1CCCCC1
InChIInChI=1S/C11H15NO4/c13-9-6-7-10(14)12(9)16-11(15)8-4-2-1-3-5-8/h6-8,13-14H,1-5H2
InChIKeyOFUYMEMOQUKBCD-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.43
Rot. Bonds2

About (2,5-dihydroxypyrrol-1-yl) cyclohexanecarboxylate

(2,5-dihydroxypyrrol-1-yl) cyclohexanecarboxylate (PubChem CID 54148134) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) cyclohexanecarboxylate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) cyclohexanecarboxylate
PubChem CID54148134
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(2,5-dihydroxypyrrol-1-yl) cyclohexanecarboxylate
SMILESO=C(On1c(O)ccc1O)C1CCCCC1
InChIInChI=1S/C11H15NO4/c13-9-6-7-10(14)12(9)16-11(15)8-4-2-1-3-5-8/h6-8,13-14H,1-5H2
InChIKeyOFUYMEMOQUKBCD-UHFFFAOYSA-N
XLogP1.43
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 54541577
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) adamantane-1-carboxylate
CID 53804822
(2,5-Dihydroxypyrrol-1-yl) octadec-9-enoate
CID 54084610
(2,5-Dihydroxypyrrol-1-yl) butanoate
CID 54133325
Bis(2,5-dihydroxypyrrol-1-yl) hexanedioate
CID 54240968
(2,5-Dihydroxypyrrol-1-yl) hexadecanoate
CID 54247195
(2,5-Dihydroxypyrrol-1-yl) 5-(dithiolan-3-yl)pentanoate
CID 54293186
Bis(2,5-dihydroxypyrrol-1-yl) octanedioate
CID 54365501
5-(2,5-Dihydroxypyrrol-1-yl)oxy-5-oxopentanoic acid
CID 54518514
(2,5-Dihydroxypyrrol-1-yl) 11-sulfanylundecanoate
CID 91565220

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) cyclohexanecarboxylate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) cyclohexanecarboxylate (CID 54148134) is (2,5-dihydroxypyrrol-1-yl) cyclohexanecarboxylate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) cyclohexanecarboxylate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) cyclohexanecarboxylate is O=C(On1c(O)ccc1O)C1CCCCC1.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) cyclohexanecarboxylate?
The InChIKey is OFUYMEMOQUKBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c13-9-6-7-10(14)12(9)16-11(15)8-4-2-1-3-5-8/h6-8,13-14H,1-5H2.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) cyclohexanecarboxylate?
(2,5-dihydroxypyrrol-1-yl) cyclohexanecarboxylate has a molecular weight of 225.24 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) cyclohexanecarboxylate is sourced from PubChem (CID 54148134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).