3-(4-methylphenyl)iminoisoindol-1-one

C15H12N2O — CID 135932532

IUPAC3-(4-methylphenyl)iminoisoindol-1-one
SMILESCc1ccc(/N=C2\NC(=O)c3ccccc32)cc1
InChIInChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)16-14-12-4-2-3-5-13(12)15(18)17-14/h2-9H,1H3,(H,16,17,18)
InChIKeyZUOSJDNUMNSWTI-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.82
Rot. Bonds1

About 3-(4-methylphenyl)iminoisoindol-1-one

3-(4-methylphenyl)iminoisoindol-1-one (PubChem CID 135932532) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(4-methylphenyl)iminoisoindol-1-one.

Molecular Properties

Compound Name3-(4-methylphenyl)iminoisoindol-1-one
PubChem CID135932532
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name3-(4-methylphenyl)iminoisoindol-1-one
SMILESCc1ccc(/N=C2\NC(=O)c3ccccc32)cc1
InChIInChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)16-14-12-4-2-3-5-13(12)15(18)17-14/h2-9H,1H3,(H,16,17,18)
InChIKeyZUOSJDNUMNSWTI-UHFFFAOYSA-N
XLogP2.82
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-(4-methylphenyl)iminoisoindol-1-one?
The IUPAC name of 3-(4-methylphenyl)iminoisoindol-1-one (CID 135932532) is 3-(4-methylphenyl)iminoisoindol-1-one.
What is the SMILES notation for 3-(4-methylphenyl)iminoisoindol-1-one?
The canonical SMILES for 3-(4-methylphenyl)iminoisoindol-1-one is Cc1ccc(/N=C2\NC(=O)c3ccccc32)cc1.
What is the InChIKey of 3-(4-methylphenyl)iminoisoindol-1-one?
The InChIKey is ZUOSJDNUMNSWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)16-14-12-4-2-3-5-13(12)15(18)17-14/h2-9H,1H3,(H,16,17,18).
What are the key properties of 3-(4-methylphenyl)iminoisoindol-1-one?
3-(4-methylphenyl)iminoisoindol-1-one has a molecular weight of 236.27 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)iminoisoindol-1-one is sourced from PubChem (CID 135932532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).