N-methyl-1-phenylmethanimine oxide

C8H9NO — CID 819870

IUPACN-methyl-1-phenylmethanimine oxide
SMILESC/[N+]([O-])=C/c1ccccc1
InChIInChI=1S/C8H9NO/c1-9(10)7-8-5-3-2-4-6-8/h2-7H,1H3/b9-7-
InChIKeyAKVBBQCAQAJLKM-CLFYSBASSA-N
MW135.17 g/mol
LogP1.25
Rot. Bonds1

About N-methyl-1-phenylmethanimine oxide

N-methyl-1-phenylmethanimine oxide (PubChem CID 819870) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is N-methyl-1-phenylmethanimine oxide.

Molecular Properties

Compound NameN-methyl-1-phenylmethanimine oxide
PubChem CID819870
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC NameN-methyl-1-phenylmethanimine oxide
SMILESC/[N+]([O-])=C/c1ccccc1
InChIInChI=1S/C8H9NO/c1-9(10)7-8-5-3-2-4-6-8/h2-7H,1H3/b9-7-
InChIKeyAKVBBQCAQAJLKM-CLFYSBASSA-N
XLogP1.25
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.25
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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Related Compounds

Benzaldehyde Oxime
CID 5324611
Acetophenone oxime
CID 5464950
N-tert-Butyl-alpha-phenylnitrone
CID 638877
N-Benzylidenecyclohexylamine
CID 75167
Phenylacetaldoxime
CID 99748
Benzaldehyde azine
CID 5324610
Benzalazine
CID 92130
Methanamine, N-(phenylmethylene)-
CID 73954
2-Propanamine, N-(phenylmethylene)-
CID 95962
Terephthalaldehyde dioxime
CID 135482632
1,2-Ethanediamine, N1,N2-bis(phenylmethylene)-
CID 66033
Cinnamaldehyde oxime
CID 9561350

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenylmethanimine oxide?
The IUPAC name of N-methyl-1-phenylmethanimine oxide (CID 819870) is N-methyl-1-phenylmethanimine oxide.
What is the SMILES notation for N-methyl-1-phenylmethanimine oxide?
The canonical SMILES for N-methyl-1-phenylmethanimine oxide is C/[N+]([O-])=C/c1ccccc1.
What is the InChIKey of N-methyl-1-phenylmethanimine oxide?
The InChIKey is AKVBBQCAQAJLKM-CLFYSBASSA-N. The full InChI is InChI=1S/C8H9NO/c1-9(10)7-8-5-3-2-4-6-8/h2-7H,1H3/b9-7-.
What are the key properties of N-methyl-1-phenylmethanimine oxide?
N-methyl-1-phenylmethanimine oxide has a molecular weight of 135.17 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenylmethanimine oxide is sourced from PubChem (CID 819870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).