N-[3-(dimethylaminooxy)-2-hydroxypropyl]-2-(2,5-dioxopyrrol-1-yl)acetamide

C11H17N3O5 — CID 89397478

IUPACN-[3-(dimethylaminooxy)-2-hydroxypropyl]-2-(2,5-dioxopyrrol-1-yl)acetamide
SMILESCN(C)OCC(O)CNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C11H17N3O5/c1-13(2)19-7-8(15)5-12-9(16)6-14-10(17)3-4-11(14)18/h3-4,8,15H,5-7H2,1-2H3,(H,12,16)
InChIKeyZQKGHGQBUUVABH-UHFFFAOYSA-N
MW271.27 g/mol
LogP-2.12
Rot. Bonds7

About N-[3-(dimethylaminooxy)-2-hydroxypropyl]-2-(2,5-dioxopyrrol-1-yl)acetamide

N-[3-(dimethylaminooxy)-2-hydroxypropyl]-2-(2,5-dioxopyrrol-1-yl)acetamide (PubChem CID 89397478) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is N-[3-(dimethylaminooxy)-2-hydroxypropyl]-2-(2,5-dioxopyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylaminooxy)-2-hydroxypropyl]-2-(2,5-dioxopyrrol-1-yl)acetamide
PubChem CID89397478
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC NameN-[3-(dimethylaminooxy)-2-hydroxypropyl]-2-(2,5-dioxopyrrol-1-yl)acetamide
SMILESCN(C)OCC(O)CNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C11H17N3O5/c1-13(2)19-7-8(15)5-12-9(16)6-14-10(17)3-4-11(14)18/h3-4,8,15H,5-7H2,1-2H3,(H,12,16)
InChIKeyZQKGHGQBUUVABH-UHFFFAOYSA-N
XLogP-2.12
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-2.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylaminooxy)-2-hydroxypropyl]-2-(2,5-dioxopyrrol-1-yl)acetamide?
The IUPAC name of N-[3-(dimethylaminooxy)-2-hydroxypropyl]-2-(2,5-dioxopyrrol-1-yl)acetamide (CID 89397478) is N-[3-(dimethylaminooxy)-2-hydroxypropyl]-2-(2,5-dioxopyrrol-1-yl)acetamide.
What is the SMILES notation for N-[3-(dimethylaminooxy)-2-hydroxypropyl]-2-(2,5-dioxopyrrol-1-yl)acetamide?
The canonical SMILES for N-[3-(dimethylaminooxy)-2-hydroxypropyl]-2-(2,5-dioxopyrrol-1-yl)acetamide is CN(C)OCC(O)CNC(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of N-[3-(dimethylaminooxy)-2-hydroxypropyl]-2-(2,5-dioxopyrrol-1-yl)acetamide?
The InChIKey is ZQKGHGQBUUVABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-13(2)19-7-8(15)5-12-9(16)6-14-10(17)3-4-11(14)18/h3-4,8,15H,5-7H2,1-2H3,(H,12,16).
What are the key properties of N-[3-(dimethylaminooxy)-2-hydroxypropyl]-2-(2,5-dioxopyrrol-1-yl)acetamide?
N-[3-(dimethylaminooxy)-2-hydroxypropyl]-2-(2,5-dioxopyrrol-1-yl)acetamide has a molecular weight of 271.27 g/mol, XLogP of -2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylaminooxy)-2-hydroxypropyl]-2-(2,5-dioxopyrrol-1-yl)acetamide is sourced from PubChem (CID 89397478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).