sodium;1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione;hydride

C14H19N2NaO5 — CID 174478250

IUPACsodium;1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione;hydride
SMILESO=C1C=CC(=O)N1CCCCCCON1C(=O)CCC1=O.[H-].[Na+]
InChIInChI=1S/C14H18N2O5.Na.H/c17-11-5-6-12(18)15(11)9-3-1-2-4-10-21-16-13(19)7-8-14(16)20;;/h5-6H,1-4,7-10H2;;/q;+1;-1
InChIKeyASQAAKPAIXTQRG-UHFFFAOYSA-N
MW318.30 g/mol
LogP-2.33
Rot. Bonds8

About sodium;1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione;hydride

sodium;1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione;hydride (PubChem CID 174478250) has the molecular formula C14H19N2NaO5 and a molecular weight of 318.30 g/mol. Its IUPAC name is sodium;1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione;hydride.

Molecular Properties

Compound Namesodium;1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione;hydride
PubChem CID174478250
Molecular FormulaC14H19N2NaO5
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC Namesodium;1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione;hydride
SMILESO=C1C=CC(=O)N1CCCCCCON1C(=O)CCC1=O.[H-].[Na+]
InChIInChI=1S/C14H18N2O5.Na.H/c17-11-5-6-12(18)15(11)9-3-1-2-4-10-21-16-13(19)7-8-14(16)20;;/h5-6H,1-4,7-10H2;;/q;+1;-1
InChIKeyASQAAKPAIXTQRG-UHFFFAOYSA-N
XLogP-2.33
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 5-2.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 sodium;1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione;hydride?
The IUPAC name of sodium;1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione;hydride (CID 174478250) is sodium;1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione;hydride.
What is the SMILES notation for sodium;1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione;hydride?
The canonical SMILES for sodium;1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione;hydride is O=C1C=CC(=O)N1CCCCCCON1C(=O)CCC1=O.[H-].[Na+].
What is the InChIKey of sodium;1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione;hydride?
The InChIKey is ASQAAKPAIXTQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5.Na.H/c17-11-5-6-12(18)15(11)9-3-1-2-4-10-21-16-13(19)7-8-14(16)20;;/h5-6H,1-4,7-10H2;;/q;+1;-1.
What are the key properties of sodium;1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione;hydride?
sodium;1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione;hydride has a molecular weight of 318.30 g/mol, XLogP of -2.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione;hydride is sourced from PubChem (CID 174478250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).