N'-hydroxy-3-morpholin-4-yl-3-oxopropanimidamide

C7H13N3O3 — CID 16775542

IUPACN'-hydroxy-3-morpholin-4-yl-3-oxopropanimidamide
SMILESN/C(CC(=O)N1CCOCC1)=N\O
InChIInChI=1S/C7H13N3O3/c8-6(9-12)5-7(11)10-1-3-13-4-2-10/h12H,1-5H2,(H2,8,9)
InChIKeyJBHSPCXOARAMIS-UHFFFAOYSA-N
MW187.20 g/mol
LogP-1.02
Rot. Bonds2

About N'-hydroxy-3-morpholin-4-yl-3-oxopropanimidamide

N'-hydroxy-3-morpholin-4-yl-3-oxopropanimidamide (PubChem CID 16775542) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is N'-hydroxy-3-morpholin-4-yl-3-oxopropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-morpholin-4-yl-3-oxopropanimidamide
PubChem CID16775542
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC NameN'-hydroxy-3-morpholin-4-yl-3-oxopropanimidamide
SMILESN/C(CC(=O)N1CCOCC1)=N\O
InChIInChI=1S/C7H13N3O3/c8-6(9-12)5-7(11)10-1-3-13-4-2-10/h12H,1-5H2,(H2,8,9)
InChIKeyJBHSPCXOARAMIS-UHFFFAOYSA-N
XLogP-1.02
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-1.02
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-morpholin-4-yl-3-oxopropanimidamide?
The IUPAC name of N'-hydroxy-3-morpholin-4-yl-3-oxopropanimidamide (CID 16775542) is N'-hydroxy-3-morpholin-4-yl-3-oxopropanimidamide.
What is the SMILES notation for N'-hydroxy-3-morpholin-4-yl-3-oxopropanimidamide?
The canonical SMILES for N'-hydroxy-3-morpholin-4-yl-3-oxopropanimidamide is N/C(CC(=O)N1CCOCC1)=N\O.
What is the InChIKey of N'-hydroxy-3-morpholin-4-yl-3-oxopropanimidamide?
The InChIKey is JBHSPCXOARAMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/c8-6(9-12)5-7(11)10-1-3-13-4-2-10/h12H,1-5H2,(H2,8,9).
What are the key properties of N'-hydroxy-3-morpholin-4-yl-3-oxopropanimidamide?
N'-hydroxy-3-morpholin-4-yl-3-oxopropanimidamide has a molecular weight of 187.20 g/mol, XLogP of -1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-morpholin-4-yl-3-oxopropanimidamide is sourced from PubChem (CID 16775542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).