N-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]prop-2-enamide

C13H20N2O5 — CID 70303606

IUPACN-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]prop-2-enamide
SMILESC=CC(=O)NCCCCCC(O)ON1C(=O)CCC1=O
InChIInChI=1S/C13H20N2O5/c1-2-10(16)14-9-5-3-4-6-13(19)20-15-11(17)7-8-12(15)18/h2,13,19H,1,3-9H2,(H,14,16)
InChIKeyWMONIDYWAZXLDY-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.25
Rot. Bonds9

About N-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]prop-2-enamide

N-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]prop-2-enamide (PubChem CID 70303606) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]prop-2-enamide.

Molecular Properties

Compound NameN-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]prop-2-enamide
PubChem CID70303606
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC NameN-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]prop-2-enamide
SMILESC=CC(=O)NCCCCCC(O)ON1C(=O)CCC1=O
InChIInChI=1S/C13H20N2O5/c1-2-10(16)14-9-5-3-4-6-13(19)20-15-11(17)7-8-12(15)18/h2,13,19H,1,3-9H2,(H,14,16)
InChIKeyWMONIDYWAZXLDY-UHFFFAOYSA-N
XLogP0.25
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]prop-2-enamide?
The IUPAC name of N-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]prop-2-enamide (CID 70303606) is N-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]prop-2-enamide.
What is the SMILES notation for N-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]prop-2-enamide?
The canonical SMILES for N-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]prop-2-enamide is C=CC(=O)NCCCCCC(O)ON1C(=O)CCC1=O.
What is the InChIKey of N-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]prop-2-enamide?
The InChIKey is WMONIDYWAZXLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-2-10(16)14-9-5-3-4-6-13(19)20-15-11(17)7-8-12(15)18/h2,13,19H,1,3-9H2,(H,14,16).
What are the key properties of N-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]prop-2-enamide?
N-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]prop-2-enamide has a molecular weight of 284.31 g/mol, XLogP of 0.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]prop-2-enamide is sourced from PubChem (CID 70303606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).