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

C15H18N2O4 — CID 54025835

IUPAC1-[[4-(2,5-dihydroxypyrrol-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC1CCC(n2c(O)ccc2O)CC1
InChIInChI=1S/C15H18N2O4/c18-12-5-6-13(19)16(12)9-10-1-3-11(4-2-10)17-14(20)7-8-15(17)21/h5-8,10-11,20-21H,1-4,9H2
InChIKeyLCCLEQDDNPFJNL-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.56
Rot. Bonds3

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

1-[[4-(2,5-dihydroxypyrrol-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione (PubChem CID 54025835) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-[[4-(2,5-dihydroxypyrrol-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[[4-(2,5-dihydroxypyrrol-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione
PubChem CID54025835
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-[[4-(2,5-dihydroxypyrrol-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC1CCC(n2c(O)ccc2O)CC1
InChIInChI=1S/C15H18N2O4/c18-12-5-6-13(19)16(12)9-10-1-3-11(4-2-10)17-14(20)7-8-15(17)21/h5-8,10-11,20-21H,1-4,9H2
InChIKeyLCCLEQDDNPFJNL-UHFFFAOYSA-N
XLogP1.56
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-Dihydroxypyrrol-1-yl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 53810001
1-[4-[(2,5-Dioxopyrrol-1-yl)methyl]cyclohexyl]-2,5-dihydroxypyrrole-3-sulfonic acid
CID 53826744
1-[4-[11-(2,5-Dihydroxypyrrol-1-yl)dodecyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone
CID 53935370
1-[6-(2,5-Dihydroxypyrrol-1-yl)oxyhexyl]pyrrole-2,5-dione
CID 53964846
[1-(2,5-Dihydroxypyrrol-1-yl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl] hydrogen carbonate
CID 54042542
1-[4-(2,5-Dihydroxypyrrol-1-yl)-4-oxobutyl]pyrrole-2,5-dione
CID 54327029
2-(2,5-Dihydroxypyrrol-1-yl)-1-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 54329280
1-[3-[(2,5-Dihydroxypyrrol-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione
CID 54480782
1-[11-(2,5-Dihydroxypyrrol-1-yl)-11-oxoundecyl]pyrrole-2,5-dione
CID 54483826
1-[6-(2,5-Dihydroxypyrrol-1-yl)-6-oxohexyl]pyrrole-2,5-dione
CID 57074307
1-(1-Cyclohexylbut-3-ynyl)pyrrole-2,5-diol
CID 57311710
1-[4-[12-(2,5-Dihydroxypyrrol-1-yl)dodecyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone
CID 90892305

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2,5-dihydroxypyrrol-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione?
The IUPAC name of 1-[[4-(2,5-dihydroxypyrrol-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione (CID 54025835) is 1-[[4-(2,5-dihydroxypyrrol-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[[4-(2,5-dihydroxypyrrol-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[[4-(2,5-dihydroxypyrrol-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CC1CCC(n2c(O)ccc2O)CC1.
What is the InChIKey of 1-[[4-(2,5-dihydroxypyrrol-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione?
The InChIKey is LCCLEQDDNPFJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-12-5-6-13(19)16(12)9-10-1-3-11(4-2-10)17-14(20)7-8-15(17)21/h5-8,10-11,20-21H,1-4,9H2.
What are the key properties of 1-[[4-(2,5-dihydroxypyrrol-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione?
1-[[4-(2,5-dihydroxypyrrol-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione has a molecular weight of 290.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2,5-dihydroxypyrrol-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione is sourced from PubChem (CID 54025835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).