N-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-1-phenylmethanimine

C20H17N — CID 86575708

IUPACN-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-1-phenylmethanimine
SMILESC1=CC=CC(c2ccc(/N=C/c3ccccc3)cc2)C=C1
InChIInChI=1S/C20H17N/c1-2-7-11-18(10-6-1)19-12-14-20(15-13-19)21-16-17-8-4-3-5-9-17/h1-16,18H/b21-16+
InChIKeyYNMUNMHGEPSMKG-LTGZKZEYSA-N
MW271.36 g/mol
LogP5.20
Rot. Bonds3

About N-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-1-phenylmethanimine

N-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-1-phenylmethanimine (PubChem CID 86575708) has the molecular formula C20H17N and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-1-phenylmethanimine.

Molecular Properties

Compound NameN-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-1-phenylmethanimine
PubChem CID86575708
Molecular FormulaC20H17N
Molecular Weight271.36 g/mol
Exact Mass271.14
IUPAC NameN-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-1-phenylmethanimine
SMILESC1=CC=CC(c2ccc(/N=C/c3ccccc3)cc2)C=C1
InChIInChI=1S/C20H17N/c1-2-7-11-18(10-6-1)19-12-14-20(15-13-19)21-16-17-8-4-3-5-9-17/h1-16,18H/b21-16+
InChIKeyYNMUNMHGEPSMKG-LTGZKZEYSA-N
XLogP5.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.36
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-1-phenylmethanimine?
The IUPAC name of N-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-1-phenylmethanimine (CID 86575708) is N-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-1-phenylmethanimine.
What is the SMILES notation for N-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-1-phenylmethanimine?
The canonical SMILES for N-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-1-phenylmethanimine is C1=CC=CC(c2ccc(/N=C/c3ccccc3)cc2)C=C1.
What is the InChIKey of N-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-1-phenylmethanimine?
The InChIKey is YNMUNMHGEPSMKG-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H17N/c1-2-7-11-18(10-6-1)19-12-14-20(15-13-19)21-16-17-8-4-3-5-9-17/h1-16,18H/b21-16+.
What are the key properties of N-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-1-phenylmethanimine?
N-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-1-phenylmethanimine has a molecular weight of 271.36 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-1-phenylmethanimine is sourced from PubChem (CID 86575708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).