(2,5-dioxopyrrolidin-1-yl) N-hexylcarbamate

C11H18N2O4 — CID 13111904

IUPAC(2,5-dioxopyrrolidin-1-yl) N-hexylcarbamate
SMILESCCCCCCNC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H18N2O4/c1-2-3-4-5-8-12-11(16)17-13-9(14)6-7-10(13)15/h2-8H2,1H3,(H,12,16)
InChIKeyDZUOHDKZOLFCSF-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.36
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) N-hexylcarbamate

(2,5-dioxopyrrolidin-1-yl) N-hexylcarbamate (PubChem CID 13111904) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) N-hexylcarbamate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) N-hexylcarbamate
PubChem CID13111904
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) N-hexylcarbamate
SMILESCCCCCCNC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H18N2O4/c1-2-3-4-5-8-12-11(16)17-13-9(14)6-7-10(13)15/h2-8H2,1H3,(H,12,16)
InChIKeyDZUOHDKZOLFCSF-UHFFFAOYSA-N
XLogP1.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-hexylcarbamate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-hexylcarbamate (CID 13111904) is (2,5-dioxopyrrolidin-1-yl) N-hexylcarbamate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) N-hexylcarbamate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) N-hexylcarbamate is CCCCCCNC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) N-hexylcarbamate?
The InChIKey is DZUOHDKZOLFCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-2-3-4-5-8-12-11(16)17-13-9(14)6-7-10(13)15/h2-8H2,1H3,(H,12,16).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) N-hexylcarbamate?
(2,5-dioxopyrrolidin-1-yl) N-hexylcarbamate has a molecular weight of 242.27 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) N-hexylcarbamate is sourced from PubChem (CID 13111904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).