N-(6-methoxynaphthalen-2-yl)-N-oxidohydroxylamine

C11H10NO3- — CID 163172105

IUPACN-(6-methoxynaphthalen-2-yl)-N-oxidohydroxylamine
SMILESCOc1ccc2cc(N([O-])O)ccc2c1
InChIInChI=1S/C11H10NO3/c1-15-11-5-3-8-6-10(12(13)14)4-2-9(8)7-11/h2-7,13H,1H3/q-1
InChIKeyORLFOHLDXJHOLY-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.54
Rot. Bonds2

About N-(6-methoxynaphthalen-2-yl)-N-oxidohydroxylamine

N-(6-methoxynaphthalen-2-yl)-N-oxidohydroxylamine (PubChem CID 163172105) has the molecular formula C11H10NO3- and a molecular weight of 204.20 g/mol. Its IUPAC name is N-(6-methoxynaphthalen-2-yl)-N-oxidohydroxylamine.

Molecular Properties

Compound NameN-(6-methoxynaphthalen-2-yl)-N-oxidohydroxylamine
PubChem CID163172105
Molecular FormulaC11H10NO3-
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC NameN-(6-methoxynaphthalen-2-yl)-N-oxidohydroxylamine
SMILESCOc1ccc2cc(N([O-])O)ccc2c1
InChIInChI=1S/C11H10NO3/c1-15-11-5-3-8-6-10(12(13)14)4-2-9(8)7-11/h2-7,13H,1H3/q-1
InChIKeyORLFOHLDXJHOLY-UHFFFAOYSA-N
XLogP2.54
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.54
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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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxynaphthalen-2-yl)-N-oxidohydroxylamine?
The IUPAC name of N-(6-methoxynaphthalen-2-yl)-N-oxidohydroxylamine (CID 163172105) is N-(6-methoxynaphthalen-2-yl)-N-oxidohydroxylamine.
What is the SMILES notation for N-(6-methoxynaphthalen-2-yl)-N-oxidohydroxylamine?
The canonical SMILES for N-(6-methoxynaphthalen-2-yl)-N-oxidohydroxylamine is COc1ccc2cc(N([O-])O)ccc2c1.
What is the InChIKey of N-(6-methoxynaphthalen-2-yl)-N-oxidohydroxylamine?
The InChIKey is ORLFOHLDXJHOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10NO3/c1-15-11-5-3-8-6-10(12(13)14)4-2-9(8)7-11/h2-7,13H,1H3/q-1.
What are the key properties of N-(6-methoxynaphthalen-2-yl)-N-oxidohydroxylamine?
N-(6-methoxynaphthalen-2-yl)-N-oxidohydroxylamine has a molecular weight of 204.20 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxynaphthalen-2-yl)-N-oxidohydroxylamine is sourced from PubChem (CID 163172105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).