(2,5-dioxopyrrolidin-1-yl) 3-cyclohexylpropanoate

C13H19NO4 — CID 13146544

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-cyclohexylpropanoate
SMILESO=C(CCC1CCCCC1)ON1C(=O)CCC1=O
InChIInChI=1S/C13H19NO4/c15-11-7-8-12(16)14(11)18-13(17)9-6-10-4-2-1-3-5-10/h10H,1-9H2
InChIKeyHSHJKJJJFSWGKU-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.95
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 3-cyclohexylpropanoate

(2,5-dioxopyrrolidin-1-yl) 3-cyclohexylpropanoate (PubChem CID 13146544) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-cyclohexylpropanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-cyclohexylpropanoate
PubChem CID13146544
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-cyclohexylpropanoate
SMILESO=C(CCC1CCCCC1)ON1C(=O)CCC1=O
InChIInChI=1S/C13H19NO4/c15-11-7-8-12(16)14(11)18-13(17)9-6-10-4-2-1-3-5-10/h10H,1-9H2
InChIKeyHSHJKJJJFSWGKU-UHFFFAOYSA-N
XLogP1.95
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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) 3-cyclohexylpropanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-cyclohexylpropanoate (CID 13146544) is (2,5-dioxopyrrolidin-1-yl) 3-cyclohexylpropanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-cyclohexylpropanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-cyclohexylpropanoate is O=C(CCC1CCCCC1)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-cyclohexylpropanoate?
The InChIKey is HSHJKJJJFSWGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c15-11-7-8-12(16)14(11)18-13(17)9-6-10-4-2-1-3-5-10/h10H,1-9H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-cyclohexylpropanoate?
(2,5-dioxopyrrolidin-1-yl) 3-cyclohexylpropanoate has a molecular weight of 253.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-cyclohexylpropanoate is sourced from PubChem (CID 13146544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).