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

C15H18N2O5 — CID 58036909

IUPAC1-[4-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]cyclohexyl]pyrrole-2,5-dione
SMILESO=C1CCC(=O)N1OCC1CCC(N2C(=O)C=CC2=O)CC1
InChIInChI=1S/C15H18N2O5/c18-12-5-6-13(19)16(12)11-3-1-10(2-4-11)9-22-17-14(20)7-8-15(17)21/h5-6,10-11H,1-4,7-9H2
InChIKeyCRGMASMVBGJLFH-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.55
Rot. Bonds4

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

1-[4-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]cyclohexyl]pyrrole-2,5-dione (PubChem CID 58036909) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 1-[4-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]cyclohexyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]cyclohexyl]pyrrole-2,5-dione
PubChem CID58036909
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name1-[4-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]cyclohexyl]pyrrole-2,5-dione
SMILESO=C1CCC(=O)N1OCC1CCC(N2C(=O)C=CC2=O)CC1
InChIInChI=1S/C15H18N2O5/c18-12-5-6-13(19)16(12)11-3-1-10(2-4-11)9-22-17-14(20)7-8-15(17)21/h5-6,10-11H,1-4,7-9H2
InChIKeyCRGMASMVBGJLFH-UHFFFAOYSA-N
XLogP0.55
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]cyclohexyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]cyclohexyl]pyrrole-2,5-dione (CID 58036909) is 1-[4-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]cyclohexyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]cyclohexyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]cyclohexyl]pyrrole-2,5-dione is O=C1CCC(=O)N1OCC1CCC(N2C(=O)C=CC2=O)CC1.
What is the InChIKey of 1-[4-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]cyclohexyl]pyrrole-2,5-dione?
The InChIKey is CRGMASMVBGJLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c18-12-5-6-13(19)16(12)11-3-1-10(2-4-11)9-22-17-14(20)7-8-15(17)21/h5-6,10-11H,1-4,7-9H2.
What are the key properties of 1-[4-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]cyclohexyl]pyrrole-2,5-dione?
1-[4-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]cyclohexyl]pyrrole-2,5-dione has a molecular weight of 306.32 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]cyclohexyl]pyrrole-2,5-dione is sourced from PubChem (CID 58036909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).