N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine

C9H11NO2 — CID 145016330

IUPACN-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine
SMILESCN(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C9H11NO2/c1-10(11)8-2-3-9-7(6-8)4-5-12-9/h2-3,6,11H,4-5H2,1H3
InChIKeySJTDYGHPYHXHCW-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.45
Rot. Bonds1

About N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine

N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine (PubChem CID 145016330) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine
PubChem CID145016330
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine
SMILESCN(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C9H11NO2/c1-10(11)8-2-3-9-7(6-8)4-5-12-9/h2-3,6,11H,4-5H2,1H3
InChIKeySJTDYGHPYHXHCW-UHFFFAOYSA-N
XLogP1.45
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride
CID 115194555
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide
CID 115175533
3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-1-methylurea
CID 115192561
3-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]propane-1,2-diol
CID 115122056
2-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]acetonitrile
CID 115130911
N-(hydrazinylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-amine
CID 115260679
methyl 2-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-2-methylpropanoate
CID 115128392
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclobutane-1-carboxamide
CID 115161446
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpiperazine-1-carboxamide
CID 115171539
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbenzamide
CID 115160758
(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N,4-dimethylmorpholine-2-carboxamide
CID 97226830

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine (CID 145016330) is N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine is CN(O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine?
The InChIKey is SJTDYGHPYHXHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-10(11)8-2-3-9-7(6-8)4-5-12-9/h2-3,6,11H,4-5H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine?
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine has a molecular weight of 165.19 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine is sourced from PubChem (CID 145016330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).