(2,5-dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate

C15H16N2O6 — CID 91443154

IUPAC(2,5-dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate
SMILESO=C(On1c(O)ccc1O)C1CCC(N2C(=O)C=CC2=O)CC1
InChIInChI=1S/C15H16N2O6/c18-11-5-6-12(19)16(11)10-3-1-9(2-4-10)15(22)23-17-13(20)7-8-14(17)21/h5-10,20-21H,1-4H2
InChIKeySCJFYNUCTHRTHA-UHFFFAOYSA-N
MW320.30 g/mol
LogP0.34
Rot. Bonds3

About (2,5-dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate

(2,5-dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate (PubChem CID 91443154) has the molecular formula C15H16N2O6 and a molecular weight of 320.30 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate
PubChem CID91443154
Molecular FormulaC15H16N2O6
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate
SMILESO=C(On1c(O)ccc1O)C1CCC(N2C(=O)C=CC2=O)CC1
InChIInChI=1S/C15H16N2O6/c18-11-5-6-12(19)16(11)10-3-1-9(2-4-10)15(22)23-17-13(20)7-8-14(17)21/h5-10,20-21H,1-4H2
InChIKeySCJFYNUCTHRTHA-UHFFFAOYSA-N
XLogP0.34
TPSA109.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
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) 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 54539923
(2,5-Dihydroxypyrrol-1-yl) 6-[6-[6-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]hexanoylamino]hexanoylamino]hexanoate
CID 91053181
(2,5-Dihydroxypyrrol-1-yl) 1-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 53806879
1-(2,5-Dihydroxypyrrol-1-yl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 53810001
(2,5-Dihydroxypyrrol-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboperoxoate
CID 53858941
(2,5-Dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)hexanoate
CID 53866411
(2,5-Dihydroxypyrrol-1-yl) 4-[2-(2,5-dioxopyrrol-1-yl)ethyl]cyclohexane-1-carboxylate
CID 53868014
(2,5-Dihydroxypyrrol-1-yl) 2-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 53920565
(2,5-Dihydroxypyrrol-1-yl) 2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanoate
CID 53989263
(2,5-Dihydroxypyrrol-1-yl) 2-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-4-methylpentanoate
CID 54016281
1-[[4-(2,5-Dihydroxypyrrol-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione
CID 54025835

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate (CID 91443154) is (2,5-dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate is O=C(On1c(O)ccc1O)C1CCC(N2C(=O)C=CC2=O)CC1.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate?
The InChIKey is SCJFYNUCTHRTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O6/c18-11-5-6-12(19)16(11)10-3-1-9(2-4-10)15(22)23-17-13(20)7-8-14(17)21/h5-10,20-21H,1-4H2.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate?
(2,5-dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate has a molecular weight of 320.30 g/mol, XLogP of 0.34, 3 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) 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 91443154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).