O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine

C9H11NO2 — CID 79426928

IUPACO-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
SMILESNOCC1COc2ccccc21
InChIInChI=1S/C9H11NO2/c10-12-6-7-5-11-9-4-2-1-3-8(7)9/h1-4,7H,5-6,10H2
InChIKeyQRARTPFJJKWZKS-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.05
Rot. Bonds2

About O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine

O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine (PubChem CID 79426928) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine.

Molecular Properties

Compound NameO-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
PubChem CID79426928
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC NameO-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
SMILESNOCC1COc2ccccc21
InChIInChI=1S/C9H11NO2/c10-12-6-7-5-11-9-4-2-1-3-8(7)9/h1-4,7H,5-6,10H2
InChIKeyQRARTPFJJKWZKS-UHFFFAOYSA-N
XLogP1.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.05
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

O-[(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine
CID 117201919
4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)cyclohexan-1-amine
CID 79230039
O-[(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine
CID 117202333
[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine
CID 79227118
3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)cyclopentan-1-amine
CID 79465588
3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-methoxyaniline
CID 79226564
2,3-dihydro-1-benzofuran-3-ylmethyl 4-aminobenzoate
CID 79229255
3-benzyl-2,3-dihydro-1-benzofuran
CID 11356275
(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopropan-1-amine
CID 79220094
(1S)-1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]propan-1-amine
CID 79218494
(3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 102429036

Frequently Asked Questions

What is the IUPAC name of O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine?
The IUPAC name of O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine (CID 79426928) is O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine.
What is the SMILES notation for O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine?
The canonical SMILES for O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine is NOCC1COc2ccccc21.
What is the InChIKey of O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine?
The InChIKey is QRARTPFJJKWZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c10-12-6-7-5-11-9-4-2-1-3-8(7)9/h1-4,7H,5-6,10H2.
What are the key properties of O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine?
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine has a molecular weight of 165.19 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine is sourced from PubChem (CID 79426928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).