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

C10H13NO3 — CID 117202333

IUPACO-[(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine
SMILESCOc1ccc2c(c1)C(CON)CO2
InChIInChI=1S/C10H13NO3/c1-12-8-2-3-10-9(4-8)7(5-13-10)6-14-11/h2-4,7H,5-6,11H2,1H3
InChIKeySYFRMRASBSNCSO-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.06
Rot. Bonds3

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

O-[(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine (PubChem CID 117202333) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is O-[(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine
PubChem CID117202333
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC NameO-[(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine
SMILESCOc1ccc2c(c1)C(CON)CO2
InChIInChI=1S/C10H13NO3/c1-12-8-2-3-10-9(4-8)7(5-13-10)6-14-11/h2-4,7H,5-6,11H2,1H3
InChIKeySYFRMRASBSNCSO-UHFFFAOYSA-N
XLogP1.06
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.06
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

O-[(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine
CID 117201919
2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129361652
5-methoxy-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 134850979
1-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)propan-2-one
CID 117202321
1-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-methylpropan-2-amine
CID 117202343
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
CID 79426928
5-methoxy-3-methyl-2,3-dihydro-1-benzofuran
CID 102492939
2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethylcarbamic acid
CID 68730092
[(3R)-6-methoxy-2,3-dihydro-1-benzofuran-3-yl]methanol
CID 67361681
(3S)-5-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran
CID 58740911
(3R)-3-(difluoromethyl)-5-methoxy-2,3-dihydro-1-benzofuran
CID 125488470
7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43153234

Frequently Asked Questions

What is the IUPAC name of O-[(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine?
The IUPAC name of O-[(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine (CID 117202333) is O-[(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine is COc1ccc2c(c1)C(CON)CO2.
What is the InChIKey of O-[(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine?
The InChIKey is SYFRMRASBSNCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-12-8-2-3-10-9(4-8)7(5-13-10)6-14-11/h2-4,7H,5-6,11H2,1H3.
What are the key properties of O-[(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine?
O-[(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine has a molecular weight of 195.22 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine is sourced from PubChem (CID 117202333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).