N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-1-phenylmethanimine oxide

C18H19NO3 — CID 14911892

IUPACN-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-1-phenylmethanimine oxide
SMILESCC1(/[N+]([O-])=C/c2ccccc2)COC(c2ccccc2)OC1
InChIInChI=1S/C18H19NO3/c1-18(19(20)12-15-8-4-2-5-9-15)13-21-17(22-14-18)16-10-6-3-7-11-16/h2-12,17H,13-14H2,1H3/b19-12-
InChIKeySNHIZMZKZSWWNI-UNOMPAQXSA-N
MW297.35 g/mol
LogP3.12
Rot. Bonds3

About N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-1-phenylmethanimine oxide

N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-1-phenylmethanimine oxide (PubChem CID 14911892) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-1-phenylmethanimine oxide.

Molecular Properties

Compound NameN-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-1-phenylmethanimine oxide
PubChem CID14911892
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-1-phenylmethanimine oxide
SMILESCC1(/[N+]([O-])=C/c2ccccc2)COC(c2ccccc2)OC1
InChIInChI=1S/C18H19NO3/c1-18(19(20)12-15-8-4-2-5-9-15)13-21-17(22-14-18)16-10-6-3-7-11-16/h2-12,17H,13-14H2,1H3/b19-12-
InChIKeySNHIZMZKZSWWNI-UNOMPAQXSA-N
XLogP3.12
TPSA44.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-1-phenylmethanimine oxide?
The IUPAC name of N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-1-phenylmethanimine oxide (CID 14911892) is N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-1-phenylmethanimine oxide.
What is the SMILES notation for N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-1-phenylmethanimine oxide?
The canonical SMILES for N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-1-phenylmethanimine oxide is CC1(/[N+]([O-])=C/c2ccccc2)COC(c2ccccc2)OC1.
What is the InChIKey of N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-1-phenylmethanimine oxide?
The InChIKey is SNHIZMZKZSWWNI-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H19NO3/c1-18(19(20)12-15-8-4-2-5-9-15)13-21-17(22-14-18)16-10-6-3-7-11-16/h2-12,17H,13-14H2,1H3/b19-12-.
What are the key properties of N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-1-phenylmethanimine oxide?
N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-1-phenylmethanimine oxide has a molecular weight of 297.35 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-1-phenylmethanimine oxide is sourced from PubChem (CID 14911892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).