5-(methoxymethyl)-5-methyl-1,2-dihydropyrrole;hydrochloride

C7H14ClNO — CID 154814385

IUPAC5-(methoxymethyl)-5-methyl-1,2-dihydropyrrole;hydrochloride
SMILESCOCC1(C)C=CCN1.Cl
InChIInChI=1S/C7H13NO.ClH/c1-7(6-9-2)4-3-5-8-7;/h3-4,8H,5-6H2,1-2H3;1H
InChIKeyJEWSGDOOXMYEOP-UHFFFAOYSA-N
MW163.65 g/mol
LogP0.97
Rot. Bonds2

About 5-(methoxymethyl)-5-methyl-1,2-dihydropyrrole;hydrochloride

5-(methoxymethyl)-5-methyl-1,2-dihydropyrrole;hydrochloride (PubChem CID 154814385) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 5-(methoxymethyl)-5-methyl-1,2-dihydropyrrole;hydrochloride.

Molecular Properties

Compound Name5-(methoxymethyl)-5-methyl-1,2-dihydropyrrole;hydrochloride
PubChem CID154814385
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name5-(methoxymethyl)-5-methyl-1,2-dihydropyrrole;hydrochloride
SMILESCOCC1(C)C=CCN1.Cl
InChIInChI=1S/C7H13NO.ClH/c1-7(6-9-2)4-3-5-8-7;/h3-4,8H,5-6H2,1-2H3;1H
InChIKeyJEWSGDOOXMYEOP-UHFFFAOYSA-N
XLogP0.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-5-methyl-1,2-dihydropyrrole;hydrochloride?
The IUPAC name of 5-(methoxymethyl)-5-methyl-1,2-dihydropyrrole;hydrochloride (CID 154814385) is 5-(methoxymethyl)-5-methyl-1,2-dihydropyrrole;hydrochloride.
What is the SMILES notation for 5-(methoxymethyl)-5-methyl-1,2-dihydropyrrole;hydrochloride?
The canonical SMILES for 5-(methoxymethyl)-5-methyl-1,2-dihydropyrrole;hydrochloride is COCC1(C)C=CCN1.Cl.
What is the InChIKey of 5-(methoxymethyl)-5-methyl-1,2-dihydropyrrole;hydrochloride?
The InChIKey is JEWSGDOOXMYEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c1-7(6-9-2)4-3-5-8-7;/h3-4,8H,5-6H2,1-2H3;1H.
What are the key properties of 5-(methoxymethyl)-5-methyl-1,2-dihydropyrrole;hydrochloride?
5-(methoxymethyl)-5-methyl-1,2-dihydropyrrole;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-5-methyl-1,2-dihydropyrrole;hydrochloride is sourced from PubChem (CID 154814385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).