1-[[4-[(2,5-dihydroxypyrrol-1-yl)oxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione

C16H20N2O5 — CID 123830642

IUPAC1-[[4-[(2,5-dihydroxypyrrol-1-yl)oxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC1CCC(COn2c(O)ccc2O)CC1
InChIInChI=1S/C16H20N2O5/c19-13-5-6-14(20)17(13)9-11-1-3-12(4-2-11)10-23-18-15(21)7-8-16(18)22/h5-8,11-12,21-22H,1-4,9-10H2
InChIKeyYBYRMYUXJIGINI-UHFFFAOYSA-N
MW320.34 g/mol
LogP1.06
Rot. Bonds5

About 1-[[4-[(2,5-dihydroxypyrrol-1-yl)oxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione

1-[[4-[(2,5-dihydroxypyrrol-1-yl)oxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione (PubChem CID 123830642) has the molecular formula C16H20N2O5 and a molecular weight of 320.34 g/mol. Its IUPAC name is 1-[[4-[(2,5-dihydroxypyrrol-1-yl)oxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[[4-[(2,5-dihydroxypyrrol-1-yl)oxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione
PubChem CID123830642
Molecular FormulaC16H20N2O5
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name1-[[4-[(2,5-dihydroxypyrrol-1-yl)oxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC1CCC(COn2c(O)ccc2O)CC1
InChIInChI=1S/C16H20N2O5/c19-13-5-6-14(20)17(13)9-11-1-3-12(4-2-11)10-23-18-15(21)7-8-16(18)22/h5-8,11-12,21-22H,1-4,9-10H2
InChIKeyYBYRMYUXJIGINI-UHFFFAOYSA-N
XLogP1.06
TPSA92.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[[4-[(2,5-dihydroxypyrrol-1-yl)oxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione with MolForge

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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
1-[8-(2,5-Dihydroxypyrrol-1-yl)oxyoctyl]pyrrole-2,5-dione
CID 53838131
(2,5-Dihydroxypyrrol-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboperoxoate
CID 53858941
(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
1-[6-(2,5-Dihydroxypyrrol-1-yl)oxyhexyl]pyrrole-2,5-dione
CID 53964846
1-[[4-(2,5-Dihydroxypyrrol-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione
CID 54025835
[1-(2,5-Dihydroxypyrrol-1-yl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl] hydrogen carbonate
CID 54042542

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2,5-dihydroxypyrrol-1-yl)oxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione?
The IUPAC name of 1-[[4-[(2,5-dihydroxypyrrol-1-yl)oxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione (CID 123830642) is 1-[[4-[(2,5-dihydroxypyrrol-1-yl)oxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[[4-[(2,5-dihydroxypyrrol-1-yl)oxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[[4-[(2,5-dihydroxypyrrol-1-yl)oxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CC1CCC(COn2c(O)ccc2O)CC1.
What is the InChIKey of 1-[[4-[(2,5-dihydroxypyrrol-1-yl)oxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione?
The InChIKey is YBYRMYUXJIGINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c19-13-5-6-14(20)17(13)9-11-1-3-12(4-2-11)10-23-18-15(21)7-8-16(18)22/h5-8,11-12,21-22H,1-4,9-10H2.
What are the key properties of 1-[[4-[(2,5-dihydroxypyrrol-1-yl)oxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione?
1-[[4-[(2,5-dihydroxypyrrol-1-yl)oxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione has a molecular weight of 320.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2,5-dihydroxypyrrol-1-yl)oxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione is sourced from PubChem (CID 123830642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).