1-(2,6-dichlorophenyl)-N-methylmethanimine oxide

C8H7Cl2NO — CID 6193980

IUPAC1-(2,6-dichlorophenyl)-N-methylmethanimine oxide
SMILESC/[N+]([O-])=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C8H7Cl2NO/c1-11(12)5-6-7(9)3-2-4-8(6)10/h2-5H,1H3/b11-5-
InChIKeyRXESCSNMPGYWQQ-WZUFQYTHSA-N
MW204.06 g/mol
LogP2.55
Rot. Bonds1

About 1-(2,6-dichlorophenyl)-N-methylmethanimine oxide

1-(2,6-dichlorophenyl)-N-methylmethanimine oxide (PubChem CID 6193980) has the molecular formula C8H7Cl2NO and a molecular weight of 204.06 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-methylmethanimine oxide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-methylmethanimine oxide
PubChem CID6193980
Molecular FormulaC8H7Cl2NO
Molecular Weight204.06 g/mol
Exact Mass202.99
IUPAC Name1-(2,6-dichlorophenyl)-N-methylmethanimine oxide
SMILESC/[N+]([O-])=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C8H7Cl2NO/c1-11(12)5-6-7(9)3-2-4-8(6)10/h2-5H,1H3/b11-5-
InChIKeyRXESCSNMPGYWQQ-WZUFQYTHSA-N
XLogP2.55
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.06
LogP ≤ 52.55
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-(2,6-dichlorophenyl)-N-methylmethanimine oxide?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-methylmethanimine oxide (CID 6193980) is 1-(2,6-dichlorophenyl)-N-methylmethanimine oxide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-methylmethanimine oxide?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-methylmethanimine oxide is C/[N+]([O-])=C/c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-methylmethanimine oxide?
The InChIKey is RXESCSNMPGYWQQ-WZUFQYTHSA-N. The full InChI is InChI=1S/C8H7Cl2NO/c1-11(12)5-6-7(9)3-2-4-8(6)10/h2-5H,1H3/b11-5-.
What are the key properties of 1-(2,6-dichlorophenyl)-N-methylmethanimine oxide?
1-(2,6-dichlorophenyl)-N-methylmethanimine oxide has a molecular weight of 204.06 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-methylmethanimine oxide is sourced from PubChem (CID 6193980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).