N'-hydroxy-4-(3-methylmorpholine-4-carbonyl)oxane-4-carboximidamide

C12H21N3O4 — CID 76920695

IUPACN'-hydroxy-4-(3-methylmorpholine-4-carbonyl)oxane-4-carboximidamide
SMILESCC1COCCN1C(=O)C1(C(N)=NO)CCOCC1
InChIInChI=1S/C12H21N3O4/c1-9-8-19-7-4-15(9)11(16)12(10(13)14-17)2-5-18-6-3-12/h9,17H,2-8H2,1H3,(H2,13,14)
InChIKeyHKHBTYQAPKQNFR-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.22
Rot. Bonds2

About N'-hydroxy-4-(3-methylmorpholine-4-carbonyl)oxane-4-carboximidamide

N'-hydroxy-4-(3-methylmorpholine-4-carbonyl)oxane-4-carboximidamide (PubChem CID 76920695) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is N'-hydroxy-4-(3-methylmorpholine-4-carbonyl)oxane-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-methylmorpholine-4-carbonyl)oxane-4-carboximidamide
PubChem CID76920695
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC NameN'-hydroxy-4-(3-methylmorpholine-4-carbonyl)oxane-4-carboximidamide
SMILESCC1COCCN1C(=O)C1(C(N)=NO)CCOCC1
InChIInChI=1S/C12H21N3O4/c1-9-8-19-7-4-15(9)11(16)12(10(13)14-17)2-5-18-6-3-12/h9,17H,2-8H2,1H3,(H2,13,14)
InChIKeyHKHBTYQAPKQNFR-UHFFFAOYSA-N
XLogP-0.22
TPSA97.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.22
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3-methylmorpholine-4-carbonyl)oxane-4-carboximidamide?
The IUPAC name of N'-hydroxy-4-(3-methylmorpholine-4-carbonyl)oxane-4-carboximidamide (CID 76920695) is N'-hydroxy-4-(3-methylmorpholine-4-carbonyl)oxane-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(3-methylmorpholine-4-carbonyl)oxane-4-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(3-methylmorpholine-4-carbonyl)oxane-4-carboximidamide is CC1COCCN1C(=O)C1(C(N)=NO)CCOCC1.
What is the InChIKey of N'-hydroxy-4-(3-methylmorpholine-4-carbonyl)oxane-4-carboximidamide?
The InChIKey is HKHBTYQAPKQNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-9-8-19-7-4-15(9)11(16)12(10(13)14-17)2-5-18-6-3-12/h9,17H,2-8H2,1H3,(H2,13,14).
What are the key properties of N'-hydroxy-4-(3-methylmorpholine-4-carbonyl)oxane-4-carboximidamide?
N'-hydroxy-4-(3-methylmorpholine-4-carbonyl)oxane-4-carboximidamide has a molecular weight of 271.32 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-methylmorpholine-4-carbonyl)oxane-4-carboximidamide is sourced from PubChem (CID 76920695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).