pyrrolidin-1-yl 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate

C16H22N2O4 — CID 58185086

IUPACpyrrolidin-1-yl 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
SMILESO=C(ON1CCCC1)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C16H22N2O4/c19-14-7-8-15(20)18(14)11-12-3-5-13(6-4-12)16(21)22-17-9-1-2-10-17/h7-8,12-13H,1-6,9-11H2
InChIKeyRTXLYTVAVUQWFJ-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.27
Rot. Bonds4

About pyrrolidin-1-yl 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate

pyrrolidin-1-yl 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate (PubChem CID 58185086) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is pyrrolidin-1-yl 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namepyrrolidin-1-yl 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
PubChem CID58185086
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namepyrrolidin-1-yl 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
SMILESO=C(ON1CCCC1)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C16H22N2O4/c19-14-7-8-15(20)18(14)11-12-3-5-13(6-4-12)16(21)22-17-9-1-2-10-17/h7-8,12-13H,1-6,9-11H2
InChIKeyRTXLYTVAVUQWFJ-UHFFFAOYSA-N
XLogP1.27
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.27
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 pyrrolidin-1-yl 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate?
The IUPAC name of pyrrolidin-1-yl 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate (CID 58185086) is pyrrolidin-1-yl 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for pyrrolidin-1-yl 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate?
The canonical SMILES for pyrrolidin-1-yl 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate is O=C(ON1CCCC1)C1CCC(CN2C(=O)C=CC2=O)CC1.
What is the InChIKey of pyrrolidin-1-yl 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate?
The InChIKey is RTXLYTVAVUQWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c19-14-7-8-15(20)18(14)11-12-3-5-13(6-4-12)16(21)22-17-9-1-2-10-17/h7-8,12-13H,1-6,9-11H2.
What are the key properties of pyrrolidin-1-yl 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate?
pyrrolidin-1-yl 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 58185086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).