4-butanoyl-N'-hydroxymorpholine-2-carboximidamide

C9H17N3O3 — CID 79680443

IUPAC4-butanoyl-N'-hydroxymorpholine-2-carboximidamide
SMILESCCCC(=O)N1CCOC(C(N)=NO)C1
InChIInChI=1S/C9H17N3O3/c1-2-3-8(13)12-4-5-15-7(6-12)9(10)11-14/h7,14H,2-6H2,1H3,(H2,10,11)
InChIKeyZVLDJEOTTWLCQF-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.24
Rot. Bonds3

About 4-butanoyl-N'-hydroxymorpholine-2-carboximidamide

4-butanoyl-N'-hydroxymorpholine-2-carboximidamide (PubChem CID 79680443) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-butanoyl-N'-hydroxymorpholine-2-carboximidamide.

Molecular Properties

Compound Name4-butanoyl-N'-hydroxymorpholine-2-carboximidamide
PubChem CID79680443
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name4-butanoyl-N'-hydroxymorpholine-2-carboximidamide
SMILESCCCC(=O)N1CCOC(C(N)=NO)C1
InChIInChI=1S/C9H17N3O3/c1-2-3-8(13)12-4-5-15-7(6-12)9(10)11-14/h7,14H,2-6H2,1H3,(H2,10,11)
InChIKeyZVLDJEOTTWLCQF-UHFFFAOYSA-N
XLogP-0.24
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.24
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

N'-hydroxy-4-propanoylmorpholine-2-carboximidamide
CID 79680714
N'-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboximidamide
CID 113355691
4-(1-butanoylpiperidine-3-carbonyl)morpholine-2-carboxamide
CID 49416925
N'-hydroxy-4-[2-(2-methylphenyl)acetyl]morpholine-2-carboximidamide
CID 79680355
N'-hydroxy-4-(5-methyloxolane-2-carbonyl)morpholine-2-carboximidamide
CID 81327620
1-[2-(chloromethyl)morpholin-4-yl]butan-1-one
CID 81210002
4-(4-methylpentanoyl)morpholine-2-carbothioamide
CID 79674672
N'-hydroxy-4-(oxane-4-carbonyl)morpholine-2-carboximidamide
CID 79680809
(2S)-N'-hydroxy-4-methylmorpholine-2-carboximidamide
CID 97045084
4-(2-ethoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide
CID 79670841
methyl 4-heptanoylmorpholine-2-carboxylate
CID 78926830
4-(2-aminoacetyl)morpholine-2-carboxamide;hydrochloride
CID 130609413

Frequently Asked Questions

What is the IUPAC name of 4-butanoyl-N'-hydroxymorpholine-2-carboximidamide?
The IUPAC name of 4-butanoyl-N'-hydroxymorpholine-2-carboximidamide (CID 79680443) is 4-butanoyl-N'-hydroxymorpholine-2-carboximidamide.
What is the SMILES notation for 4-butanoyl-N'-hydroxymorpholine-2-carboximidamide?
The canonical SMILES for 4-butanoyl-N'-hydroxymorpholine-2-carboximidamide is CCCC(=O)N1CCOC(C(N)=NO)C1.
What is the InChIKey of 4-butanoyl-N'-hydroxymorpholine-2-carboximidamide?
The InChIKey is ZVLDJEOTTWLCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-2-3-8(13)12-4-5-15-7(6-12)9(10)11-14/h7,14H,2-6H2,1H3,(H2,10,11).
What are the key properties of 4-butanoyl-N'-hydroxymorpholine-2-carboximidamide?
4-butanoyl-N'-hydroxymorpholine-2-carboximidamide has a molecular weight of 215.25 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butanoyl-N'-hydroxymorpholine-2-carboximidamide is sourced from PubChem (CID 79680443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).