N-[4-(1-ethylpyrrolidin-3-yl)oxyphenyl]-N-oxidohydroxylamine

C12H17N2O3- — CID 58777659

IUPACN-[4-(1-ethylpyrrolidin-3-yl)oxyphenyl]-N-oxidohydroxylamine
SMILESCCN1CCC(Oc2ccc(N([O-])O)cc2)C1
InChIInChI=1S/C12H17N2O3/c1-2-13-8-7-12(9-13)17-11-5-3-10(4-6-11)14(15)16/h3-6,12,15H,2,7-9H2,1H3/q-1
InChIKeyJEOUNCVKKHVZPX-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.85
Rot. Bonds4

About N-[4-(1-ethylpyrrolidin-3-yl)oxyphenyl]-N-oxidohydroxylamine

N-[4-(1-ethylpyrrolidin-3-yl)oxyphenyl]-N-oxidohydroxylamine (PubChem CID 58777659) has the molecular formula C12H17N2O3- and a molecular weight of 237.28 g/mol. Its IUPAC name is N-[4-(1-ethylpyrrolidin-3-yl)oxyphenyl]-N-oxidohydroxylamine.

Molecular Properties

Compound NameN-[4-(1-ethylpyrrolidin-3-yl)oxyphenyl]-N-oxidohydroxylamine
PubChem CID58777659
Molecular FormulaC12H17N2O3-
Molecular Weight237.28 g/mol
Exact Mass237.12
IUPAC NameN-[4-(1-ethylpyrrolidin-3-yl)oxyphenyl]-N-oxidohydroxylamine
SMILESCCN1CCC(Oc2ccc(N([O-])O)cc2)C1
InChIInChI=1S/C12H17N2O3/c1-2-13-8-7-12(9-13)17-11-5-3-10(4-6-11)14(15)16/h3-6,12,15H,2,7-9H2,1H3/q-1
InChIKeyJEOUNCVKKHVZPX-UHFFFAOYSA-N
XLogP1.85
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 142830615
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CID 118546891
1-ethyl-3-(4-fluorophenoxy)azetidine
CID 89379644
3-(4-azidophenoxy)-1-ethylpiperidine
CID 151164549
1-ethyl-3-(2-nitrophenoxy)pyrrolidine
CID 68790701
2-(3-pyridin-4-yloxypyrrolidin-1-yl)acetamide
CID 175996413
4-(1,3-benzodioxol-5-yloxy)-1-ethylpiperidine
CID 142009570
N,N-dimethyl-2-[4-(4-methylphenoxy)piperidin-1-yl]acetamide
CID 167150972
(1-ethylpyrrolidin-3-yl) 4-aminobenzoate
CID 117066621
N-[1-[4-(1-ethylpiperidin-3-yl)oxyphenyl]ethyl]-N',N'-dimethylethane-1,2-diamine;prop-1-ene
CID 142171824
3-(4-butan-2-ylphenoxy)-1-methylpyrrolidine;2-methylpropane
CID 176937704

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-ethylpyrrolidin-3-yl)oxyphenyl]-N-oxidohydroxylamine?
The IUPAC name of N-[4-(1-ethylpyrrolidin-3-yl)oxyphenyl]-N-oxidohydroxylamine (CID 58777659) is N-[4-(1-ethylpyrrolidin-3-yl)oxyphenyl]-N-oxidohydroxylamine.
What is the SMILES notation for N-[4-(1-ethylpyrrolidin-3-yl)oxyphenyl]-N-oxidohydroxylamine?
The canonical SMILES for N-[4-(1-ethylpyrrolidin-3-yl)oxyphenyl]-N-oxidohydroxylamine is CCN1CCC(Oc2ccc(N([O-])O)cc2)C1.
What is the InChIKey of N-[4-(1-ethylpyrrolidin-3-yl)oxyphenyl]-N-oxidohydroxylamine?
The InChIKey is JEOUNCVKKHVZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N2O3/c1-2-13-8-7-12(9-13)17-11-5-3-10(4-6-11)14(15)16/h3-6,12,15H,2,7-9H2,1H3/q-1.
What are the key properties of N-[4-(1-ethylpyrrolidin-3-yl)oxyphenyl]-N-oxidohydroxylamine?
N-[4-(1-ethylpyrrolidin-3-yl)oxyphenyl]-N-oxidohydroxylamine has a molecular weight of 237.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-ethylpyrrolidin-3-yl)oxyphenyl]-N-oxidohydroxylamine is sourced from PubChem (CID 58777659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).