(NE)-N-[(2-methoxyphenyl)methylidene]hydroxylamine

C8H9NO2 — CID 6861468

IUPAC(NE)-N-[(2-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1ccccc1/C=N/O
InChIInChI=1S/C8H9NO2/c1-11-8-5-3-2-4-7(8)6-9-10/h2-6,10H,1H3/b9-6+
InChIKeyCBQNSTKQBGIAEL-RMKNXTFCSA-N
MW151.16 g/mol
LogP1.50
Rot. Bonds2

About (NE)-N-[(2-methoxyphenyl)methylidene]hydroxylamine

(NE)-N-[(2-methoxyphenyl)methylidene]hydroxylamine (PubChem CID 6861468) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is (NE)-N-[(2-methoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2-methoxyphenyl)methylidene]hydroxylamine
PubChem CID6861468
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name(NE)-N-[(2-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1ccccc1/C=N/O
InChIInChI=1S/C8H9NO2/c1-11-8-5-3-2-4-7(8)6-9-10/h2-6,10H,1H3/b9-6+
InChIKeyCBQNSTKQBGIAEL-RMKNXTFCSA-N
XLogP1.50
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.50
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-methoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2-methoxyphenyl)methylidene]hydroxylamine (CID 6861468) is (NE)-N-[(2-methoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2-methoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2-methoxyphenyl)methylidene]hydroxylamine is COc1ccccc1/C=N/O.
What is the InChIKey of (NE)-N-[(2-methoxyphenyl)methylidene]hydroxylamine?
The InChIKey is CBQNSTKQBGIAEL-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H9NO2/c1-11-8-5-3-2-4-7(8)6-9-10/h2-6,10H,1H3/b9-6+.
What are the key properties of (NE)-N-[(2-methoxyphenyl)methylidene]hydroxylamine?
(NE)-N-[(2-methoxyphenyl)methylidene]hydroxylamine has a molecular weight of 151.16 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-methoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 6861468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).