O-[2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine

C11H15NO3 — CID 117298603

IUPACO-[2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine
SMILESCC1(C)Oc2ccc(CCON)cc2O1
InChIInChI=1S/C11H15NO3/c1-11(2)14-9-4-3-8(5-6-13-12)7-10(9)15-11/h3-4,7H,5-6,12H2,1-2H3
InChIKeyCOOZADJBIMPDME-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.63
Rot. Bonds3

About O-[2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine

O-[2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine (PubChem CID 117298603) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is O-[2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine
PubChem CID117298603
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC NameO-[2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine
SMILESCC1(C)Oc2ccc(CCON)cc2O1
InChIInChI=1S/C11H15NO3/c1-11(2)14-9-4-3-8(5-6-13-12)7-10(9)15-11/h3-4,7H,5-6,12H2,1-2H3
InChIKeyCOOZADJBIMPDME-UHFFFAOYSA-N
XLogP1.63
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl-trimethoxysilane
CID 170900368
3-(2,2-dimethyl-1,3-benzodioxol-5-yl)propan-1-ol
CID 102448955
4-(2,2-dimethyl-1,3-benzodioxol-5-yl)butanethioic S-acid
CID 54292977
6-(2,2-dimethyl-1,3-benzodioxol-5-yl)hexanoic acid
CID 118649631
7-(2,2-dimethyl-1,3-benzodioxol-5-yl)heptanoic acid
CID 118649626
2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl 5-(dithiolan-3-yl)pentanoate
CID 51031225
O-[2-(3,4-diethylphenyl)ethyl]hydroxylamine
CID 117284110
5-fluoro-2,2-dimethyl-1,3-benzodioxole
CID 18966282
O-[2-[4-[(dimethylamino)methyl]-3-fluorophenyl]ethyl]hydroxylamine
CID 117303184
N-[(2,2-dimethyl-1,3-benzodioxol-5-yl)methyl]-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 69346752
2-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylethanol
CID 117294612
O-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydroxylamine
CID 83482053

Frequently Asked Questions

What is the IUPAC name of O-[2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine (CID 117298603) is O-[2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine is CC1(C)Oc2ccc(CCON)cc2O1.
What is the InChIKey of O-[2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine?
The InChIKey is COOZADJBIMPDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(2)14-9-4-3-8(5-6-13-12)7-10(9)15-11/h3-4,7H,5-6,12H2,1-2H3.
What are the key properties of O-[2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine?
O-[2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine has a molecular weight of 209.24 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine is sourced from PubChem (CID 117298603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).