N'-hydroxy-3-(3-methylmorpholin-4-yl)-3-oxopropanimidamide

C8H15N3O3 — CID 43542531

IUPACN'-hydroxy-3-(3-methylmorpholin-4-yl)-3-oxopropanimidamide
SMILESCC1COCCN1C(=O)C/C(N)=N/O
InChIInChI=1S/C8H15N3O3/c1-6-5-14-3-2-11(6)8(12)4-7(9)10-13/h6,13H,2-5H2,1H3,(H2,9,10)
InChIKeyNXWJYXZYDHIVSJ-UHFFFAOYSA-N
MW201.23 g/mol
LogP-0.63
Rot. Bonds2

About N'-hydroxy-3-(3-methylmorpholin-4-yl)-3-oxopropanimidamide

N'-hydroxy-3-(3-methylmorpholin-4-yl)-3-oxopropanimidamide (PubChem CID 43542531) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is N'-hydroxy-3-(3-methylmorpholin-4-yl)-3-oxopropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-methylmorpholin-4-yl)-3-oxopropanimidamide
PubChem CID43542531
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC NameN'-hydroxy-3-(3-methylmorpholin-4-yl)-3-oxopropanimidamide
SMILESCC1COCCN1C(=O)C/C(N)=N/O
InChIInChI=1S/C8H15N3O3/c1-6-5-14-3-2-11(6)8(12)4-7(9)10-13/h6,13H,2-5H2,1H3,(H2,9,10)
InChIKeyNXWJYXZYDHIVSJ-UHFFFAOYSA-N
XLogP-0.63
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(3-methylmorpholin-4-yl)-3-oxopropanimidamide?
The IUPAC name of N'-hydroxy-3-(3-methylmorpholin-4-yl)-3-oxopropanimidamide (CID 43542531) is N'-hydroxy-3-(3-methylmorpholin-4-yl)-3-oxopropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(3-methylmorpholin-4-yl)-3-oxopropanimidamide?
The canonical SMILES for N'-hydroxy-3-(3-methylmorpholin-4-yl)-3-oxopropanimidamide is CC1COCCN1C(=O)C/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-(3-methylmorpholin-4-yl)-3-oxopropanimidamide?
The InChIKey is NXWJYXZYDHIVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-6-5-14-3-2-11(6)8(12)4-7(9)10-13/h6,13H,2-5H2,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-3-(3-methylmorpholin-4-yl)-3-oxopropanimidamide?
N'-hydroxy-3-(3-methylmorpholin-4-yl)-3-oxopropanimidamide has a molecular weight of 201.23 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(3-methylmorpholin-4-yl)-3-oxopropanimidamide is sourced from PubChem (CID 43542531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).