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

C16H20N2O6 — CID 88918448

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)C1CCC(CN2C(=O)C=CC2O)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/h5-6,10-12,19H,1-4,7-9H2
InChIKeyBPIMWDXQQZUAKC-UHFFFAOYSA-N
MW336.34 g/mol
LogP0.12
Rot. Bonds4

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

(2,5-dioxopyrrolidin-1-yl) 4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate (PubChem CID 88918448) has the molecular formula C16H20N2O6 and a molecular weight of 336.34 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate
PubChem CID88918448
Molecular FormulaC16H20N2O6
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)C1CCC(CN2C(=O)C=CC2O)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/h5-6,10-12,19H,1-4,7-9H2
InChIKeyBPIMWDXQQZUAKC-UHFFFAOYSA-N
XLogP0.12
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
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': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate (CID 88918448) is (2,5-dioxopyrrolidin-1-yl) 4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate is O=C(ON1C(=O)CCC1=O)C1CCC(CN2C(=O)C=CC2O)CC1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate?
The InChIKey is BPIMWDXQQZUAKC-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/h5-6,10-12,19H,1-4,7-9H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate has a molecular weight of 336.34 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 88918448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).