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

C12H11NO2 — CID 6898846

IUPAC(NE)-N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine
SMILESCOc1ccc2ccccc2c1/C=N/O
InChIInChI=1S/C12H11NO2/c1-15-12-7-6-9-4-2-3-5-10(9)11(12)8-13-14/h2-8,14H,1H3/b13-8+
InChIKeyVHXRWOTZOBRMJG-MDWZMJQESA-N
MW201.22 g/mol
LogP2.66
Rot. Bonds2

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

(NE)-N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine (PubChem CID 6898846) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is (NE)-N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine
PubChem CID6898846
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name(NE)-N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine
SMILESCOc1ccc2ccccc2c1/C=N/O
InChIInChI=1S/C12H11NO2/c1-15-12-7-6-9-4-2-3-5-10(9)11(12)8-13-14/h2-8,14H,1H3/b13-8+
InChIKeyVHXRWOTZOBRMJG-MDWZMJQESA-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'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine (CID 6898846) is (NE)-N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine is COc1ccc2ccccc2c1/C=N/O.
What is the InChIKey of (NE)-N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine?
The InChIKey is VHXRWOTZOBRMJG-MDWZMJQESA-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/b13-8+.
What are the key properties of (NE)-N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine?
(NE)-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 (NE)-N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 6898846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).