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

C16H12N2O3 — CID 6298578

IUPAC2-[(Z)-(2-methoxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESCOc1ccccc1/C=N\N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H12N2O3/c1-21-14-9-5-2-6-11(14)10-17-18-15(19)12-7-3-4-8-13(12)16(18)20/h2-10H,1H3/b17-10-
InChIKeyUPWCHMGRVGASGN-YVLHZVERSA-N
MW280.28 g/mol
LogP2.33
Rot. Bonds3

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

2-[(Z)-(2-methoxyphenyl)methylideneamino]isoindole-1,3-dione (PubChem CID 6298578) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[(Z)-(2-methoxyphenyl)methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(Z)-(2-methoxyphenyl)methylideneamino]isoindole-1,3-dione
PubChem CID6298578
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name2-[(Z)-(2-methoxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESCOc1ccccc1/C=N\N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H12N2O3/c1-21-14-9-5-2-6-11(14)10-17-18-15(19)12-7-3-4-8-13(12)16(18)20/h2-10H,1H3/b17-10-
InChIKeyUPWCHMGRVGASGN-YVLHZVERSA-N
XLogP2.33
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2-methoxyphenyl)methylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(Z)-(2-methoxyphenyl)methylideneamino]isoindole-1,3-dione (CID 6298578) is 2-[(Z)-(2-methoxyphenyl)methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(Z)-(2-methoxyphenyl)methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(Z)-(2-methoxyphenyl)methylideneamino]isoindole-1,3-dione is COc1ccccc1/C=N\N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(Z)-(2-methoxyphenyl)methylideneamino]isoindole-1,3-dione?
The InChIKey is UPWCHMGRVGASGN-YVLHZVERSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-21-14-9-5-2-6-11(14)10-17-18-15(19)12-7-3-4-8-13(12)16(18)20/h2-10H,1H3/b17-10-.
What are the key properties of 2-[(Z)-(2-methoxyphenyl)methylideneamino]isoindole-1,3-dione?
2-[(Z)-(2-methoxyphenyl)methylideneamino]isoindole-1,3-dione has a molecular weight of 280.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2-methoxyphenyl)methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 6298578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).