N-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]hydroxylamine

C10H12BrNO2 — CID 117398306

IUPACN-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]hydroxylamine
SMILESCC1Cc2cc(Br)cc(CNO)c2O1
InChIInChI=1S/C10H12BrNO2/c1-6-2-7-3-9(11)4-8(5-12-13)10(7)14-6/h3-4,6,12-13H,2,5H2,1H3
InChIKeyBZFNCCQYZVBISA-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.25
Rot. Bonds2

About N-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]hydroxylamine

N-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]hydroxylamine (PubChem CID 117398306) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is N-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]hydroxylamine
PubChem CID117398306
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC NameN-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]hydroxylamine
SMILESCC1Cc2cc(Br)cc(CNO)c2O1
InChIInChI=1S/C10H12BrNO2/c1-6-2-7-3-9(11)4-8(5-12-13)10(7)14-6/h3-4,6,12-13H,2,5H2,1H3
InChIKeyBZFNCCQYZVBISA-UHFFFAOYSA-N
XLogP2.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]hydroxylamine?
The IUPAC name of N-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]hydroxylamine (CID 117398306) is N-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]hydroxylamine is CC1Cc2cc(Br)cc(CNO)c2O1.
What is the InChIKey of N-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]hydroxylamine?
The InChIKey is BZFNCCQYZVBISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-6-2-7-3-9(11)4-8(5-12-13)10(7)14-6/h3-4,6,12-13H,2,5H2,1H3.
What are the key properties of N-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]hydroxylamine?
N-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]hydroxylamine has a molecular weight of 258.11 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]hydroxylamine is sourced from PubChem (CID 117398306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).