nonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate

C23H40N2O5 — CID 52946228

IUPACnonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate
SMILESCCCCCCCCCOC(=O)C(CCCCN1C(=O)CCC1=O)N1CCOCC1
InChIInChI=1S/C23H40N2O5/c1-2-3-4-5-6-7-10-17-30-23(28)20(24-15-18-29-19-16-24)11-8-9-14-25-21(26)12-13-22(25)27/h20H,2-19H2,1H3
InChIKeyCCCFMBGLSUMLNG-UHFFFAOYSA-N
MW424.58 g/mol
LogP3.30
Rot. Bonds15

About nonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate

nonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate (PubChem CID 52946228) has the molecular formula C23H40N2O5 and a molecular weight of 424.58 g/mol. Its IUPAC name is nonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate.

Molecular Properties

Compound Namenonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate
PubChem CID52946228
Molecular FormulaC23H40N2O5
Molecular Weight424.58 g/mol
Exact Mass424.29
IUPAC Namenonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate
SMILESCCCCCCCCCOC(=O)C(CCCCN1C(=O)CCC1=O)N1CCOCC1
InChIInChI=1S/C23H40N2O5/c1-2-3-4-5-6-7-10-17-30-23(28)20(24-15-18-29-19-16-24)11-8-9-14-25-21(26)12-13-22(25)27/h20H,2-19H2,1H3
InChIKeyCCCFMBGLSUMLNG-UHFFFAOYSA-N
XLogP3.30
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.58
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 nonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate?
The IUPAC name of nonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate (CID 52946228) is nonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate.
What is the SMILES notation for nonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate?
The canonical SMILES for nonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate is CCCCCCCCCOC(=O)C(CCCCN1C(=O)CCC1=O)N1CCOCC1.
What is the InChIKey of nonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate?
The InChIKey is CCCFMBGLSUMLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O5/c1-2-3-4-5-6-7-10-17-30-23(28)20(24-15-18-29-19-16-24)11-8-9-14-25-21(26)12-13-22(25)27/h20H,2-19H2,1H3.
What are the key properties of nonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate?
nonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate has a molecular weight of 424.58 g/mol, XLogP of 3.30, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate is sourced from PubChem (CID 52946228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).