[4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]-2-methoxyphenyl] cyclopropanecarboxylate

C20H16N2O5 — CID 9072432

IUPAC[4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]-2-methoxyphenyl] cyclopropanecarboxylate
SMILESCOc1cc(/C=N\N2C(=O)c3ccccc3C2=O)ccc1OC(=O)C1CC1
InChIInChI=1S/C20H16N2O5/c1-26-17-10-12(6-9-16(17)27-20(25)13-7-8-13)11-21-22-18(23)14-4-2-3-5-15(14)19(22)24/h2-6,9-11,13H,7-8H2,1H3/b21-11-
InChIKeyODRWOEPEVUWKFF-NHDPSOOVSA-N
MW364.36 g/mol
LogP2.64
Rot. Bonds5

About [4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]-2-methoxyphenyl] cyclopropanecarboxylate

[4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]-2-methoxyphenyl] cyclopropanecarboxylate (PubChem CID 9072432) has the molecular formula C20H16N2O5 and a molecular weight of 364.36 g/mol. Its IUPAC name is [4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]-2-methoxyphenyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]-2-methoxyphenyl] cyclopropanecarboxylate
PubChem CID9072432
Molecular FormulaC20H16N2O5
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC Name[4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]-2-methoxyphenyl] cyclopropanecarboxylate
SMILESCOc1cc(/C=N\N2C(=O)c3ccccc3C2=O)ccc1OC(=O)C1CC1
InChIInChI=1S/C20H16N2O5/c1-26-17-10-12(6-9-16(17)27-20(25)13-7-8-13)11-21-22-18(23)14-4-2-3-5-15(14)19(22)24/h2-6,9-11,13H,7-8H2,1H3/b21-11-
InChIKeyODRWOEPEVUWKFF-NHDPSOOVSA-N
XLogP2.64
TPSA85.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[(Z)-(1,3-dioxobenzo[de]isoquinolin-2-yl)iminomethyl]-2-methoxyphenyl] acetate
CID 8979943
[4-[(Z)-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 9122525
2-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 8973003
[4-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 9234824
[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] cyclohexanecarboxylate
CID 169383112
(4-formyl-2-methoxyphenyl) cyclohexanecarboxylate
CID 4504529
[2-methoxy-4-[(4-nitrophenyl)iminomethyl]phenyl] cyclopropanecarboxylate
CID 23791098
[4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 9013763
[4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 9175017
[2-methoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] cyclopropanecarboxylate
CID 9015267
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

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]-2-methoxyphenyl] cyclopropanecarboxylate?
The IUPAC name of [4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]-2-methoxyphenyl] cyclopropanecarboxylate (CID 9072432) is [4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]-2-methoxyphenyl] cyclopropanecarboxylate.
What is the SMILES notation for [4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]-2-methoxyphenyl] cyclopropanecarboxylate?
The canonical SMILES for [4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]-2-methoxyphenyl] cyclopropanecarboxylate is COc1cc(/C=N\N2C(=O)c3ccccc3C2=O)ccc1OC(=O)C1CC1.
What is the InChIKey of [4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]-2-methoxyphenyl] cyclopropanecarboxylate?
The InChIKey is ODRWOEPEVUWKFF-NHDPSOOVSA-N. The full InChI is InChI=1S/C20H16N2O5/c1-26-17-10-12(6-9-16(17)27-20(25)13-7-8-13)11-21-22-18(23)14-4-2-3-5-15(14)19(22)24/h2-6,9-11,13H,7-8H2,1H3/b21-11-.
What are the key properties of [4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]-2-methoxyphenyl] cyclopropanecarboxylate?
[4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]-2-methoxyphenyl] cyclopropanecarboxylate has a molecular weight of 364.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]-2-methoxyphenyl] cyclopropanecarboxylate is sourced from PubChem (CID 9072432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).