N-[(6-methoxy-2-benzofuran-1-yl)methyl]hydroxylamine

C10H11NO3 — CID 57215958

IUPACN-[(6-methoxy-2-benzofuran-1-yl)methyl]hydroxylamine
SMILESCOc1ccc2coc(CNO)c2c1
InChIInChI=1S/C10H11NO3/c1-13-8-3-2-7-6-14-10(5-11-12)9(7)4-8/h2-4,6,11-12H,5H2,1H3
InChIKeyOTVHWRVHUZMNJC-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.92
Rot. Bonds3

About N-[(6-methoxy-2-benzofuran-1-yl)methyl]hydroxylamine

N-[(6-methoxy-2-benzofuran-1-yl)methyl]hydroxylamine (PubChem CID 57215958) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is N-[(6-methoxy-2-benzofuran-1-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(6-methoxy-2-benzofuran-1-yl)methyl]hydroxylamine
PubChem CID57215958
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC NameN-[(6-methoxy-2-benzofuran-1-yl)methyl]hydroxylamine
SMILESCOc1ccc2coc(CNO)c2c1
InChIInChI=1S/C10H11NO3/c1-13-8-3-2-7-6-14-10(5-11-12)9(7)4-8/h2-4,6,11-12H,5H2,1H3
InChIKeyOTVHWRVHUZMNJC-UHFFFAOYSA-N
XLogP1.92
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.92
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-2-benzofuran-1-yl)methanol
CID 56998706
4-(5-methoxy-2-benzofuran-1-yl)butanoic acid
CID 57092549
7-methoxy-1-(7-methoxy-2-methylnaphthalen-1-yl)-2-methylnaphthalene
CID 20715432
13-hydroxy-5,21-dimethoxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene
CID 90965651
methyl (2S)-2-[[2-(8-methoxybenzo[e][1]benzofuran-1-yl)acetyl]amino]propanoate
CID 102352082
2-(5-methoxy-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide
CID 18860246
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
N-[(2-ethoxy-4-methoxyphenyl)methyl]hydroxylamine
CID 117287000
7-methoxy-3-methylnaphthalen-1-ol
CID 14832999
1,3,7-trimethoxynaphthalene
CID 102088907
methyl 7-methoxy-1-oxoisoquinoline-2-carboxylate
CID 175088809

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-benzofuran-1-yl)methyl]hydroxylamine?
The IUPAC name of N-[(6-methoxy-2-benzofuran-1-yl)methyl]hydroxylamine (CID 57215958) is N-[(6-methoxy-2-benzofuran-1-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(6-methoxy-2-benzofuran-1-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(6-methoxy-2-benzofuran-1-yl)methyl]hydroxylamine is COc1ccc2coc(CNO)c2c1.
What is the InChIKey of N-[(6-methoxy-2-benzofuran-1-yl)methyl]hydroxylamine?
The InChIKey is OTVHWRVHUZMNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-13-8-3-2-7-6-14-10(5-11-12)9(7)4-8/h2-4,6,11-12H,5H2,1H3.
What are the key properties of N-[(6-methoxy-2-benzofuran-1-yl)methyl]hydroxylamine?
N-[(6-methoxy-2-benzofuran-1-yl)methyl]hydroxylamine has a molecular weight of 193.20 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2-benzofuran-1-yl)methyl]hydroxylamine is sourced from PubChem (CID 57215958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).