1-(3-methoxyphenyl)-N-methylmethanimine oxide

C9H11NO2 — CID 4702337

IUPAC1-(3-methoxyphenyl)-N-methylmethanimine oxide
SMILESCOc1cccc(C=[N+](C)[O-])c1
InChIInChI=1S/C9H11NO2/c1-10(11)7-8-4-3-5-9(6-8)12-2/h3-7H,1-2H3
InChIKeyCSKXEOACHRXVFE-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.25
Rot. Bonds2

About 1-(3-methoxyphenyl)-N-methylmethanimine oxide

1-(3-methoxyphenyl)-N-methylmethanimine oxide (PubChem CID 4702337) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-methylmethanimine oxide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-methylmethanimine oxide
PubChem CID4702337
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1-(3-methoxyphenyl)-N-methylmethanimine oxide
SMILESCOc1cccc(C=[N+](C)[O-])c1
InChIInChI=1S/C9H11NO2/c1-10(11)7-8-4-3-5-9(6-8)12-2/h3-7H,1-2H3
InChIKeyCSKXEOACHRXVFE-UHFFFAOYSA-N
XLogP1.25
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-methylmethanimine oxide?
The IUPAC name of 1-(3-methoxyphenyl)-N-methylmethanimine oxide (CID 4702337) is 1-(3-methoxyphenyl)-N-methylmethanimine oxide.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-methylmethanimine oxide?
The canonical SMILES for 1-(3-methoxyphenyl)-N-methylmethanimine oxide is COc1cccc(C=[N+](C)[O-])c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-methylmethanimine oxide?
The InChIKey is CSKXEOACHRXVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-10(11)7-8-4-3-5-9(6-8)12-2/h3-7H,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-N-methylmethanimine oxide?
1-(3-methoxyphenyl)-N-methylmethanimine oxide has a molecular weight of 165.19 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-methylmethanimine oxide is sourced from PubChem (CID 4702337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).