methyl oxane-4-carboximidate;hydrochloride

C7H14ClNO2 — CID 69079042

IUPACmethyl oxane-4-carboximidate;hydrochloride
SMILESCl.[H]/N=C(\OC)C1CCOCC1
InChIInChI=1S/C7H13NO2.ClH/c1-9-7(8)6-2-4-10-5-3-6;/h6,8H,2-5H2,1H3;1H/b8-7-;
InChIKeyYAOMTSWVTFJLQA-CFYXSCKTSA-N
MW179.65 g/mol
LogP1.46
Rot. Bonds1

About methyl oxane-4-carboximidate;hydrochloride

methyl oxane-4-carboximidate;hydrochloride (PubChem CID 69079042) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is methyl oxane-4-carboximidate;hydrochloride.

Molecular Properties

Compound Namemethyl oxane-4-carboximidate;hydrochloride
PubChem CID69079042
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Namemethyl oxane-4-carboximidate;hydrochloride
SMILESCl.[H]/N=C(\OC)C1CCOCC1
InChIInChI=1S/C7H13NO2.ClH/c1-9-7(8)6-2-4-10-5-3-6;/h6,8H,2-5H2,1H3;1H/b8-7-;
InChIKeyYAOMTSWVTFJLQA-CFYXSCKTSA-N
XLogP1.46
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl oxane-4-carboximidate;hydrochloride?
The IUPAC name of methyl oxane-4-carboximidate;hydrochloride (CID 69079042) is methyl oxane-4-carboximidate;hydrochloride.
What is the SMILES notation for methyl oxane-4-carboximidate;hydrochloride?
The canonical SMILES for methyl oxane-4-carboximidate;hydrochloride is Cl.[H]/N=C(\OC)C1CCOCC1.
What is the InChIKey of methyl oxane-4-carboximidate;hydrochloride?
The InChIKey is YAOMTSWVTFJLQA-CFYXSCKTSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-9-7(8)6-2-4-10-5-3-6;/h6,8H,2-5H2,1H3;1H/b8-7-;.
What are the key properties of methyl oxane-4-carboximidate;hydrochloride?
methyl oxane-4-carboximidate;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl oxane-4-carboximidate;hydrochloride is sourced from PubChem (CID 69079042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).