N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine

C12H11NO2 — CID 708036

IUPACN-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine
SMILESCOc1ccc2ccccc2c1C=NO
InChIInChI=1S/C12H11NO2/c1-15-12-7-6-9-4-2-3-5-10(9)11(12)8-13-14/h2-8,14H,1H3
InChIKeyVHXRWOTZOBRMJG-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.66
Rot. Bonds2

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

N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine (PubChem CID 708036) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine
PubChem CID708036
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC NameN-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine
SMILESCOc1ccc2ccccc2c1C=NO
InChIInChI=1S/C12H11NO2/c1-15-12-7-6-9-4-2-3-5-10(9)11(12)8-13-14/h2-8,14H,1H3
InChIKeyVHXRWOTZOBRMJG-UHFFFAOYSA-N
XLogP2.66
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.66
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'}

Analyze N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NE)-N-[(2,3-dimethoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 22397383
(E)-1-(2-methoxynaphthalen-1-yl)-N-trimethylsilylmethanimine
CID 15419490
N-[(2-phenylmethoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 807879
(NE)-N-[[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylidene]hydroxylamine
CID 42312904
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]naphthalen-2-amine
CID 6024957
N-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]hydroxylamine
CID 20990812
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
ethyl N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]carbamate
CID 6898993
2-methoxy-1-[2-[4-[2-(2-methoxynaphthalen-1-yl)ethenyl]phenyl]ethenyl]naphthalene
CID 75293754
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylaniline
CID 9014704
N-(2,3-dimethylphenyl)-1-(2-methoxynaphthalen-1-yl)methanimine
CID 126214700
2-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione
CID 5404063

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine (CID 708036) is N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine is COc1ccc2ccccc2c1C=NO.
What is the InChIKey of N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine?
The InChIKey is VHXRWOTZOBRMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-15-12-7-6-9-4-2-3-5-10(9)11(12)8-13-14/h2-8,14H,1H3.
What are the key properties of N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine?
N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine has a molecular weight of 201.22 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 708036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).