N'-hydroxy-4-(oxane-4-carbonyl)morpholine-2-carboximidamide

C11H19N3O4 — CID 79680809

IUPACN'-hydroxy-4-(oxane-4-carbonyl)morpholine-2-carboximidamide
SMILESNC(=NO)C1CN(C(=O)C2CCOCC2)CCO1
InChIInChI=1S/C11H19N3O4/c12-10(13-16)9-7-14(3-6-18-9)11(15)8-1-4-17-5-2-8/h8-9,16H,1-7H2,(H2,12,13)
InChIKeyNRHADQBBERVJSQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.61
Rot. Bonds2

About N'-hydroxy-4-(oxane-4-carbonyl)morpholine-2-carboximidamide

N'-hydroxy-4-(oxane-4-carbonyl)morpholine-2-carboximidamide (PubChem CID 79680809) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is N'-hydroxy-4-(oxane-4-carbonyl)morpholine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(oxane-4-carbonyl)morpholine-2-carboximidamide
PubChem CID79680809
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC NameN'-hydroxy-4-(oxane-4-carbonyl)morpholine-2-carboximidamide
SMILESNC(=NO)C1CN(C(=O)C2CCOCC2)CCO1
InChIInChI=1S/C11H19N3O4/c12-10(13-16)9-7-14(3-6-18-9)11(15)8-1-4-17-5-2-8/h8-9,16H,1-7H2,(H2,12,13)
InChIKeyNRHADQBBERVJSQ-UHFFFAOYSA-N
XLogP-0.61
TPSA97.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N'-hydroxy-4-(5-methyloxolane-2-carbonyl)morpholine-2-carboximidamide
CID 81327620
4-(cyclobutanecarbonyl)morpholine-2-carbothioamide
CID 79674396
N'-hydroxy-4-propanoylmorpholine-2-carboximidamide
CID 79680714
4-butanoyl-N'-hydroxymorpholine-2-carboximidamide
CID 79680443
N'-hydroxy-4-(2-hydroxybenzoyl)morpholine-2-carboximidamide
CID 79680984
N'-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboximidamide
CID 113355691
N'-hydroxy-4-methyl-1-(oxane-4-carbonyl)piperidine-4-carboximidamide
CID 107162353
N'-hydroxy-1-(oxolane-2-carbonyl)piperidine-3-carboximidamide
CID 77041531
6-[(2S)-4-(oxane-4-carbonyl)morpholin-2-yl]pyridine-3-carboxamide
CID 95847907
[(3R)-3-methylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 81427826
[2-(cyclohexylmethyl)morpholin-4-yl]-(oxan-4-yl)methanone
CID 45197657
(4-methylpiperidin-1-yl)-(oxan-4-yl)methanone
CID 78803278

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(oxane-4-carbonyl)morpholine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-(oxane-4-carbonyl)morpholine-2-carboximidamide (CID 79680809) is N'-hydroxy-4-(oxane-4-carbonyl)morpholine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(oxane-4-carbonyl)morpholine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(oxane-4-carbonyl)morpholine-2-carboximidamide is NC(=NO)C1CN(C(=O)C2CCOCC2)CCO1.
What is the InChIKey of N'-hydroxy-4-(oxane-4-carbonyl)morpholine-2-carboximidamide?
The InChIKey is NRHADQBBERVJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c12-10(13-16)9-7-14(3-6-18-9)11(15)8-1-4-17-5-2-8/h8-9,16H,1-7H2,(H2,12,13).
What are the key properties of N'-hydroxy-4-(oxane-4-carbonyl)morpholine-2-carboximidamide?
N'-hydroxy-4-(oxane-4-carbonyl)morpholine-2-carboximidamide has a molecular weight of 257.29 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(oxane-4-carbonyl)morpholine-2-carboximidamide is sourced from PubChem (CID 79680809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).