1-[3-[(2,5-dihydroxypyrrol-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione

C15H18N2O4 — CID 54480782

IUPAC1-[3-[(2,5-dihydroxypyrrol-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C1CCCC(Cn2c(O)ccc2O)C1
InChIInChI=1S/C15H18N2O4/c18-12-4-5-13(19)16(12)9-10-2-1-3-11(8-10)17-14(20)6-7-15(17)21/h4-7,10-11,18-19H,1-3,8-9H2
InChIKeyXOVVGRHHQGIEDY-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.38
Rot. Bonds3

About 1-[3-[(2,5-dihydroxypyrrol-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione

1-[3-[(2,5-dihydroxypyrrol-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione (PubChem CID 54480782) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-[3-[(2,5-dihydroxypyrrol-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-[(2,5-dihydroxypyrrol-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione
PubChem CID54480782
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-[3-[(2,5-dihydroxypyrrol-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C1CCCC(Cn2c(O)ccc2O)C1
InChIInChI=1S/C15H18N2O4/c18-12-4-5-13(19)16(12)9-10-2-1-3-11(8-10)17-14(20)6-7-15(17)21/h4-7,10-11,18-19H,1-3,8-9H2
InChIKeyXOVVGRHHQGIEDY-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
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-[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-[[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
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-[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
1-[4-[18-(2,5-Dihydroxypyrrol-1-yl)octadecyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone
CID 91006445

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,5-dihydroxypyrrol-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-[(2,5-dihydroxypyrrol-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione (CID 54480782) is 1-[3-[(2,5-dihydroxypyrrol-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-[(2,5-dihydroxypyrrol-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-[(2,5-dihydroxypyrrol-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1C1CCCC(Cn2c(O)ccc2O)C1.
What is the InChIKey of 1-[3-[(2,5-dihydroxypyrrol-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione?
The InChIKey is XOVVGRHHQGIEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-12-4-5-13(19)16(12)9-10-2-1-3-11(8-10)17-14(20)6-7-15(17)21/h4-7,10-11,18-19H,1-3,8-9H2.
What are the key properties of 1-[3-[(2,5-dihydroxypyrrol-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione?
1-[3-[(2,5-dihydroxypyrrol-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione has a molecular weight of 290.32 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,5-dihydroxypyrrol-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione is sourced from PubChem (CID 54480782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).