2-[(Z)-(2-methylphenyl)methylideneamino]isoindole-1,3-dione

C16H12N2O2 — CID 5394460

IUPAC2-[(Z)-(2-methylphenyl)methylideneamino]isoindole-1,3-dione
SMILESCc1ccccc1/C=N\N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H12N2O2/c1-11-6-2-3-7-12(11)10-17-18-15(19)13-8-4-5-9-14(13)16(18)20/h2-10H,1H3/b17-10-
InChIKeyASFFCTSTKPKLHK-YVLHZVERSA-N
MW264.28 g/mol
LogP2.63
Rot. Bonds2

About 2-[(Z)-(2-methylphenyl)methylideneamino]isoindole-1,3-dione

2-[(Z)-(2-methylphenyl)methylideneamino]isoindole-1,3-dione (PubChem CID 5394460) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[(Z)-(2-methylphenyl)methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(Z)-(2-methylphenyl)methylideneamino]isoindole-1,3-dione
PubChem CID5394460
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name2-[(Z)-(2-methylphenyl)methylideneamino]isoindole-1,3-dione
SMILESCc1ccccc1/C=N\N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H12N2O2/c1-11-6-2-3-7-12(11)10-17-18-15(19)13-8-4-5-9-14(13)16(18)20/h2-10H,1H3/b17-10-
InChIKeyASFFCTSTKPKLHK-YVLHZVERSA-N
XLogP2.63
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-(2-methoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 6298578
2-[(E)-(1,2,5-trimethylpyrrol-3-yl)methylideneamino]isoindole-1,3-dione
CID 5349189
2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
CID 1098364
2-[(Z)-[4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
CID 5440307
2-[(Z)-(2,4-dichlorophenyl)methylideneamino]isoindole-1,3-dione
CID 5392488
2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 6861399
2-[(E)-(4-phenylphenyl)methylideneamino]isoindole-1,3-dione
CID 6909855
2-[(E)-(4-methylsulfanylphenyl)methylideneamino]isoindole-1,3-dione
CID 6897377
2-(pyridin-2-ylmethylideneamino)isoindole-1,3-dione
CID 901062
2-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]methylideneamino]isoindole-1,3-dione
CID 9143128
2-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 8973003
1-(2-methylphenyl)-N-[2-[2-[(2-methylphenyl)methylideneamino]phenyl]phenyl]methanimine
CID 2197917

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2-methylphenyl)methylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(Z)-(2-methylphenyl)methylideneamino]isoindole-1,3-dione (CID 5394460) is 2-[(Z)-(2-methylphenyl)methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(Z)-(2-methylphenyl)methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(Z)-(2-methylphenyl)methylideneamino]isoindole-1,3-dione is Cc1ccccc1/C=N\N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(Z)-(2-methylphenyl)methylideneamino]isoindole-1,3-dione?
The InChIKey is ASFFCTSTKPKLHK-YVLHZVERSA-N. The full InChI is InChI=1S/C16H12N2O2/c1-11-6-2-3-7-12(11)10-17-18-15(19)13-8-4-5-9-14(13)16(18)20/h2-10H,1H3/b17-10-.
What are the key properties of 2-[(Z)-(2-methylphenyl)methylideneamino]isoindole-1,3-dione?
2-[(Z)-(2-methylphenyl)methylideneamino]isoindole-1,3-dione has a molecular weight of 264.28 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2-methylphenyl)methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 5394460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).