1-(4-chlorophenyl)-N-methylmethanimine oxide

C8H8ClNO — CID 6369182

IUPAC1-(4-chlorophenyl)-N-methylmethanimine oxide
SMILESC/[N+]([O-])=C/c1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNO/c1-10(11)6-7-2-4-8(9)5-3-7/h2-6H,1H3/b10-6-
InChIKeyUXCJETAKFJCNJQ-POHAHGRESA-N
MW169.61 g/mol
LogP1.90
Rot. Bonds1

About 1-(4-chlorophenyl)-N-methylmethanimine oxide

1-(4-chlorophenyl)-N-methylmethanimine oxide (PubChem CID 6369182) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methylmethanimine oxide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methylmethanimine oxide
PubChem CID6369182
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name1-(4-chlorophenyl)-N-methylmethanimine oxide
SMILESC/[N+]([O-])=C/c1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNO/c1-10(11)6-7-2-4-8(9)5-3-7/h2-6H,1H3/b10-6-
InChIKeyUXCJETAKFJCNJQ-POHAHGRESA-N
XLogP1.90
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(4-chlorophenyl)-N-methylmethanimine oxide?
The IUPAC name of 1-(4-chlorophenyl)-N-methylmethanimine oxide (CID 6369182) is 1-(4-chlorophenyl)-N-methylmethanimine oxide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methylmethanimine oxide?
The canonical SMILES for 1-(4-chlorophenyl)-N-methylmethanimine oxide is C/[N+]([O-])=C/c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methylmethanimine oxide?
The InChIKey is UXCJETAKFJCNJQ-POHAHGRESA-N. The full InChI is InChI=1S/C8H8ClNO/c1-10(11)6-7-2-4-8(9)5-3-7/h2-6H,1H3/b10-6-.
What are the key properties of 1-(4-chlorophenyl)-N-methylmethanimine oxide?
1-(4-chlorophenyl)-N-methylmethanimine oxide has a molecular weight of 169.61 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methylmethanimine oxide is sourced from PubChem (CID 6369182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).