N-[(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)methyl]hydroxylamine

C10H13NO3 — CID 82606137

IUPACN-[(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)methyl]hydroxylamine
SMILESCOc1cc2c(cc1CNO)OCC2
InChIInChI=1S/C10H13NO3/c1-13-9-4-7-2-3-14-10(7)5-8(9)6-11-12/h4-5,11-12H,2-3,6H2,1H3
InChIKeySZESAEGRJGGSPZ-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.11
Rot. Bonds3

About N-[(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)methyl]hydroxylamine

N-[(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)methyl]hydroxylamine (PubChem CID 82606137) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-[(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)methyl]hydroxylamine
PubChem CID82606137
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC NameN-[(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)methyl]hydroxylamine
SMILESCOc1cc2c(cc1CNO)OCC2
InChIInChI=1S/C10H13NO3/c1-13-9-4-7-2-3-14-10(7)5-8(9)6-11-12/h4-5,11-12H,2-3,6H2,1H3
InChIKeySZESAEGRJGGSPZ-UHFFFAOYSA-N
XLogP1.11
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6-methoxy-3,4-dihydro-2H-chromen-7-yl)methanol
CID 10241724
5-methoxy-2,3-dihydro-1-benzofuran-6-ol
CID 10953886
1-(6-methoxy-3,4-dihydro-2H-chromen-7-yl)propan-2-amine
CID 69408234
3-(6-methoxy-3,4-dihydro-2H-chromen-7-yl)-N,N-dimethylpropan-1-amine
CID 170865622
2-(5-propan-2-yloxy-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 83897026
N-[(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]hydroxylamine
CID 82685055
2-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)-N-methylethanamine
CID 83890042
[1-(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)cyclopentyl]methanamine
CID 82622946
2,3-dihydro-1-benzofuran-6-ol;3-methoxy-4-methylphenol
CID 162092836
2-chloro-N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]acetamide
CID 86810322
3-cyclopropyl-3-(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)propanoic acid
CID 117410129
2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethanol
CID 117300099

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)methyl]hydroxylamine?
The IUPAC name of N-[(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)methyl]hydroxylamine (CID 82606137) is N-[(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)methyl]hydroxylamine is COc1cc2c(cc1CNO)OCC2.
What is the InChIKey of N-[(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)methyl]hydroxylamine?
The InChIKey is SZESAEGRJGGSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-13-9-4-7-2-3-14-10(7)5-8(9)6-11-12/h4-5,11-12H,2-3,6H2,1H3.
What are the key properties of N-[(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)methyl]hydroxylamine?
N-[(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)methyl]hydroxylamine has a molecular weight of 195.22 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)methyl]hydroxylamine is sourced from PubChem (CID 82606137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).