(2,5-dioxopyrrolidin-1-yl) 4-[(5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate

C16H20N2O5 — CID 129237627

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-[(5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)C1CCC(CN2CC=CC2=O)CC1
InChIInChI=1S/C16H20N2O5/c19-13-2-1-9-17(13)10-11-3-5-12(6-4-11)16(22)23-18-14(20)7-8-15(18)21/h1-2,11-12H,3-10H2
InChIKeyYPKKLOLWTJBQOA-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.80
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 4-[(5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate

(2,5-dioxopyrrolidin-1-yl) 4-[(5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate (PubChem CID 129237627) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[(5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-[(5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate
PubChem CID129237627
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[(5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)C1CCC(CN2CC=CC2=O)CC1
InChIInChI=1S/C16H20N2O5/c19-13-2-1-9-17(13)10-11-3-5-12(6-4-11)16(22)23-18-14(20)7-8-15(18)21/h1-2,11-12H,3-10H2
InChIKeyYPKKLOLWTJBQOA-UHFFFAOYSA-N
XLogP0.80
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.80
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 (2,5-dioxopyrrolidin-1-yl) 4-[(5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[(5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate (CID 129237627) is (2,5-dioxopyrrolidin-1-yl) 4-[(5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[(5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[(5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate is O=C(ON1C(=O)CCC1=O)C1CCC(CN2CC=CC2=O)CC1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[(5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate?
The InChIKey is YPKKLOLWTJBQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c19-13-2-1-9-17(13)10-11-3-5-12(6-4-11)16(22)23-18-14(20)7-8-15(18)21/h1-2,11-12H,3-10H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[(5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 4-[(5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-[(5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 129237627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).