N,1-diphenylmethanimine oxide

C13H11NO — CID 6508552

IUPACN,1-diphenylmethanimine oxide
SMILES[O-]/[N+](=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11NO/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H/b14-11+
InChIKeyZEAUJQWDPKRESH-SDNWHVSQSA-N
MW197.24 g/mol
LogP2.95
Rot. Bonds2

About N,1-diphenylmethanimine oxide

N,1-diphenylmethanimine oxide (PubChem CID 6508552) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is N,1-diphenylmethanimine oxide.

Molecular Properties

Compound NameN,1-diphenylmethanimine oxide
PubChem CID6508552
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC NameN,1-diphenylmethanimine oxide
SMILES[O-]/[N+](=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11NO/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H/b14-11+
InChIKeyZEAUJQWDPKRESH-SDNWHVSQSA-N
XLogP2.95
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.95
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 N,1-diphenylmethanimine oxide?
The IUPAC name of N,1-diphenylmethanimine oxide (CID 6508552) is N,1-diphenylmethanimine oxide.
What is the SMILES notation for N,1-diphenylmethanimine oxide?
The canonical SMILES for N,1-diphenylmethanimine oxide is [O-]/[N+](=C/c1ccccc1)c1ccccc1.
What is the InChIKey of N,1-diphenylmethanimine oxide?
The InChIKey is ZEAUJQWDPKRESH-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H11NO/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H/b14-11+.
What are the key properties of N,1-diphenylmethanimine oxide?
N,1-diphenylmethanimine oxide has a molecular weight of 197.24 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diphenylmethanimine oxide is sourced from PubChem (CID 6508552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).