1-[[4-[(2,5-dioxopyrrolidin-1-yl)oxy-hydroxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione

C16H20N2O6 — CID 156569359

IUPAC1-[[4-[(2,5-dioxopyrrolidin-1-yl)oxy-hydroxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC1CCC(C(O)ON2C(=O)CCC2=O)CC1
InChIInChI=1S/C16H20N2O6/c19-12-5-6-13(20)17(12)9-10-1-3-11(4-2-10)16(23)24-18-14(21)7-8-15(18)22/h5-6,10-11,16,23H,1-4,7-9H2
InChIKeyDULOZVLEXFSIDP-UHFFFAOYSA-N
MW336.34 g/mol
LogP0.12
Rot. Bonds5

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

1-[[4-[(2,5-dioxopyrrolidin-1-yl)oxy-hydroxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione (PubChem CID 156569359) has the molecular formula C16H20N2O6 and a molecular weight of 336.34 g/mol. Its IUPAC name is 1-[[4-[(2,5-dioxopyrrolidin-1-yl)oxy-hydroxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[[4-[(2,5-dioxopyrrolidin-1-yl)oxy-hydroxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione
PubChem CID156569359
Molecular FormulaC16H20N2O6
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name1-[[4-[(2,5-dioxopyrrolidin-1-yl)oxy-hydroxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC1CCC(C(O)ON2C(=O)CCC2=O)CC1
InChIInChI=1S/C16H20N2O6/c19-12-5-6-13(20)17(12)9-10-1-3-11(4-2-10)16(23)24-18-14(21)7-8-15(18)22/h5-6,10-11,16,23H,1-4,7-9H2
InChIKeyDULOZVLEXFSIDP-UHFFFAOYSA-N
XLogP0.12
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[[4-[(2,5-dioxopyrrolidin-1-yl)oxy-hydroxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2,5-dioxopyrrolidin-1-yl)oxy-hydroxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione?
The IUPAC name of 1-[[4-[(2,5-dioxopyrrolidin-1-yl)oxy-hydroxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione (CID 156569359) is 1-[[4-[(2,5-dioxopyrrolidin-1-yl)oxy-hydroxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[[4-[(2,5-dioxopyrrolidin-1-yl)oxy-hydroxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[[4-[(2,5-dioxopyrrolidin-1-yl)oxy-hydroxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CC1CCC(C(O)ON2C(=O)CCC2=O)CC1.
What is the InChIKey of 1-[[4-[(2,5-dioxopyrrolidin-1-yl)oxy-hydroxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione?
The InChIKey is DULOZVLEXFSIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6/c19-12-5-6-13(20)17(12)9-10-1-3-11(4-2-10)16(23)24-18-14(21)7-8-15(18)22/h5-6,10-11,16,23H,1-4,7-9H2.
What are the key properties of 1-[[4-[(2,5-dioxopyrrolidin-1-yl)oxy-hydroxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione?
1-[[4-[(2,5-dioxopyrrolidin-1-yl)oxy-hydroxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione has a molecular weight of 336.34 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2,5-dioxopyrrolidin-1-yl)oxy-hydroxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione is sourced from PubChem (CID 156569359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).