N-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydroxylamine

C13H13NO2 — CID 2747573

IUPACN-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydroxylamine
SMILESCOc1ccc2cc(C(C)=NO)ccc2c1
InChIInChI=1S/C13H13NO2/c1-9(14-15)10-3-4-12-8-13(16-2)6-5-11(12)7-10/h3-8,15H,1-2H3
InChIKeyFKUMAWUBPURONA-UHFFFAOYSA-N
MW215.25 g/mol
LogP3.05
Rot. Bonds2

About N-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydroxylamine

N-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydroxylamine (PubChem CID 2747573) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydroxylamine
PubChem CID2747573
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC NameN-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydroxylamine
SMILESCOc1ccc2cc(C(C)=NO)ccc2c1
InChIInChI=1S/C13H13NO2/c1-9(14-15)10-3-4-12-8-13(16-2)6-5-11(12)7-10/h3-8,15H,1-2H3
InChIKeyFKUMAWUBPURONA-UHFFFAOYSA-N
XLogP3.05
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydroxylamine (CID 2747573) is N-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydroxylamine is COc1ccc2cc(C(C)=NO)ccc2c1.
What is the InChIKey of N-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydroxylamine?
The InChIKey is FKUMAWUBPURONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-9(14-15)10-3-4-12-8-13(16-2)6-5-11(12)7-10/h3-8,15H,1-2H3.
What are the key properties of N-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydroxylamine?
N-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydroxylamine has a molecular weight of 215.25 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 2747573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).