1-[[4-(2,5-dihydroxypyrrole-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione

C16H18N2O5 — CID 91324231

IUPAC1-[[4-(2,5-dihydroxypyrrole-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC1CCC(C(=O)n2c(O)ccc2O)CC1
InChIInChI=1S/C16H18N2O5/c19-12-5-6-13(20)17(12)9-10-1-3-11(4-2-10)16(23)18-14(21)7-8-15(18)22/h5-8,10-11,21-22H,1-4,9H2
InChIKeyGHUAMYSZCWKPGV-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.27
Rot. Bonds3

About 1-[[4-(2,5-dihydroxypyrrole-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione

1-[[4-(2,5-dihydroxypyrrole-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione (PubChem CID 91324231) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 1-[[4-(2,5-dihydroxypyrrole-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[[4-(2,5-dihydroxypyrrole-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione
PubChem CID91324231
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name1-[[4-(2,5-dihydroxypyrrole-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC1CCC(C(=O)n2c(O)ccc2O)CC1
InChIInChI=1S/C16H18N2O5/c19-12-5-6-13(20)17(12)9-10-1-3-11(4-2-10)16(23)18-14(21)7-8-15(18)22/h5-8,10-11,21-22H,1-4,9H2
InChIKeyGHUAMYSZCWKPGV-UHFFFAOYSA-N
XLogP1.27
TPSA99.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
4-[(2,5-Dihydroxypyrrol-1-yl)methyl]cyclohexane-1-carbaldehyde
CID 53862832
(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
4-[(2,5-Dihydroxypyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 53921834
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-dihydroxypyrrole-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione?
The IUPAC name of 1-[[4-(2,5-dihydroxypyrrole-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione (CID 91324231) is 1-[[4-(2,5-dihydroxypyrrole-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[[4-(2,5-dihydroxypyrrole-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[[4-(2,5-dihydroxypyrrole-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CC1CCC(C(=O)n2c(O)ccc2O)CC1.
What is the InChIKey of 1-[[4-(2,5-dihydroxypyrrole-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione?
The InChIKey is GHUAMYSZCWKPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c19-12-5-6-13(20)17(12)9-10-1-3-11(4-2-10)16(23)18-14(21)7-8-15(18)22/h5-8,10-11,21-22H,1-4,9H2.
What are the key properties of 1-[[4-(2,5-dihydroxypyrrole-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione?
1-[[4-(2,5-dihydroxypyrrole-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione has a molecular weight of 318.33 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2,5-dihydroxypyrrole-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione is sourced from PubChem (CID 91324231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).