N'-hydroxy-4-(5-methyloxolane-2-carbonyl)morpholine-2-carboximidamide

C11H19N3O4 — CID 81327620

IUPACN'-hydroxy-4-(5-methyloxolane-2-carbonyl)morpholine-2-carboximidamide
SMILESCC1CCC(C(=O)N2CCOC(C(N)=NO)C2)O1
InChIInChI=1S/C11H19N3O4/c1-7-2-3-8(18-7)11(15)14-4-5-17-9(6-14)10(12)13-16/h7-9,16H,2-6H2,1H3,(H2,12,13)
InChIKeyZCPVQPXXPYQNDB-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.47
Rot. Bonds2

About N'-hydroxy-4-(5-methyloxolane-2-carbonyl)morpholine-2-carboximidamide

N'-hydroxy-4-(5-methyloxolane-2-carbonyl)morpholine-2-carboximidamide (PubChem CID 81327620) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is N'-hydroxy-4-(5-methyloxolane-2-carbonyl)morpholine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(5-methyloxolane-2-carbonyl)morpholine-2-carboximidamide
PubChem CID81327620
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC NameN'-hydroxy-4-(5-methyloxolane-2-carbonyl)morpholine-2-carboximidamide
SMILESCC1CCC(C(=O)N2CCOC(C(N)=NO)C2)O1
InChIInChI=1S/C11H19N3O4/c1-7-2-3-8(18-7)11(15)14-4-5-17-9(6-14)10(12)13-16/h7-9,16H,2-6H2,1H3,(H2,12,13)
InChIKeyZCPVQPXXPYQNDB-UHFFFAOYSA-N
XLogP-0.47
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 ≤ 5-0.47
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-(oxane-4-carbonyl)morpholine-2-carboximidamide
CID 79680809
N'-hydroxy-4-propanoylmorpholine-2-carboximidamide
CID 79680714
2-[methyl-[[(2R)-4-[(2S,5R)-5-methyloxolane-2-carbonyl]morpholin-2-yl]methyl]amino]acetamide
CID 129333738
4-butanoyl-N'-hydroxymorpholine-2-carboximidamide
CID 79680443
(4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-2-yl)methanone
CID 114501395
(5-methyloxolan-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81428047
[3-(methylamino)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 115300185
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81329769
azepan-1-yl-(5-methyloxolan-2-yl)methanone
CID 80949461
N'-hydroxy-4-(2-methylpyrazole-3-carbonyl)morpholine-2-carboximidamide
CID 79680892
N'-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboximidamide
CID 113355691
(2S)-N'-hydroxy-4-methylmorpholine-2-carboximidamide
CID 97045084

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(5-methyloxolane-2-carbonyl)morpholine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-(5-methyloxolane-2-carbonyl)morpholine-2-carboximidamide (CID 81327620) is N'-hydroxy-4-(5-methyloxolane-2-carbonyl)morpholine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(5-methyloxolane-2-carbonyl)morpholine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(5-methyloxolane-2-carbonyl)morpholine-2-carboximidamide is CC1CCC(C(=O)N2CCOC(C(N)=NO)C2)O1.
What is the InChIKey of N'-hydroxy-4-(5-methyloxolane-2-carbonyl)morpholine-2-carboximidamide?
The InChIKey is ZCPVQPXXPYQNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-7-2-3-8(18-7)11(15)14-4-5-17-9(6-14)10(12)13-16/h7-9,16H,2-6H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-4-(5-methyloxolane-2-carbonyl)morpholine-2-carboximidamide?
N'-hydroxy-4-(5-methyloxolane-2-carbonyl)morpholine-2-carboximidamide has a molecular weight of 257.29 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(5-methyloxolane-2-carbonyl)morpholine-2-carboximidamide is sourced from PubChem (CID 81327620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).