N'-hydroxy-4-propanoylmorpholine-2-carboximidamide

C8H15N3O3 — CID 79680714

IUPACN'-hydroxy-4-propanoylmorpholine-2-carboximidamide
SMILESCCC(=O)N1CCOC(C(N)=NO)C1
InChIInChI=1S/C8H15N3O3/c1-2-7(12)11-3-4-14-6(5-11)8(9)10-13/h6,13H,2-5H2,1H3,(H2,9,10)
InChIKeyPGHOFFQZFNUSSB-UHFFFAOYSA-N
MW201.23 g/mol
LogP-0.63
Rot. Bonds2

About N'-hydroxy-4-propanoylmorpholine-2-carboximidamide

N'-hydroxy-4-propanoylmorpholine-2-carboximidamide (PubChem CID 79680714) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is N'-hydroxy-4-propanoylmorpholine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-propanoylmorpholine-2-carboximidamide
PubChem CID79680714
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC NameN'-hydroxy-4-propanoylmorpholine-2-carboximidamide
SMILESCCC(=O)N1CCOC(C(N)=NO)C1
InChIInChI=1S/C8H15N3O3/c1-2-7(12)11-3-4-14-6(5-11)8(9)10-13/h6,13H,2-5H2,1H3,(H2,9,10)
InChIKeyPGHOFFQZFNUSSB-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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Related Compounds

4-butanoyl-N'-hydroxymorpholine-2-carboximidamide
CID 79680443
N'-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboximidamide
CID 113355691
N'-hydroxy-4-[2-(2-methylphenyl)acetyl]morpholine-2-carboximidamide
CID 79680355
N'-hydroxy-4-(5-methyloxolane-2-carbonyl)morpholine-2-carboximidamide
CID 81327620
N'-hydroxy-4-(oxane-4-carbonyl)morpholine-2-carboximidamide
CID 79680809
(2S)-N'-hydroxy-4-methylmorpholine-2-carboximidamide
CID 97045084
4-(2-ethylbutyl)-N'-hydroxymorpholine-2-carboximidamide
CID 82926320
4-(2-ethoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide
CID 79670841
4-(2-aminoacetyl)morpholine-2-carboxamide;hydrochloride
CID 130609413
N'-hydroxy-4-(2-methylpyrazole-3-carbonyl)morpholine-2-carboximidamide
CID 79680892
N'-hydroxy-4-(5-methylthiophene-2-carbonyl)morpholine-2-carboximidamide
CID 79680609
N'-hydroxy-4-(2-hydroxybenzoyl)morpholine-2-carboximidamide
CID 79680984

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-propanoylmorpholine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-propanoylmorpholine-2-carboximidamide (CID 79680714) is N'-hydroxy-4-propanoylmorpholine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-propanoylmorpholine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-propanoylmorpholine-2-carboximidamide is CCC(=O)N1CCOC(C(N)=NO)C1.
What is the InChIKey of N'-hydroxy-4-propanoylmorpholine-2-carboximidamide?
The InChIKey is PGHOFFQZFNUSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-2-7(12)11-3-4-14-6(5-11)8(9)10-13/h6,13H,2-5H2,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-4-propanoylmorpholine-2-carboximidamide?
N'-hydroxy-4-propanoylmorpholine-2-carboximidamide 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-4-propanoylmorpholine-2-carboximidamide is sourced from PubChem (CID 79680714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).