[(Z)-benzo[e][1]benzofuran-1-ylideneamino] 2-methylbenzoate

C20H15NO3 — CID 58276074

IUPAC[(Z)-benzo[e][1]benzofuran-1-ylideneamino] 2-methylbenzoate
SMILESCc1ccccc1C(=O)O/N=C1\COc2ccc3ccccc3c21
InChIInChI=1S/C20H15NO3/c1-13-6-2-4-8-15(13)20(22)24-21-17-12-23-18-11-10-14-7-3-5-9-16(14)19(17)18/h2-11H,12H2,1H3/b21-17+
InChIKeyWYDREURKXJBYPW-HEHNFIMWSA-N
MW317.34 g/mol
LogP4.10
Rot. Bonds2

About [(Z)-benzo[e][1]benzofuran-1-ylideneamino] 2-methylbenzoate

[(Z)-benzo[e][1]benzofuran-1-ylideneamino] 2-methylbenzoate (PubChem CID 58276074) has the molecular formula C20H15NO3 and a molecular weight of 317.34 g/mol. Its IUPAC name is [(Z)-benzo[e][1]benzofuran-1-ylideneamino] 2-methylbenzoate.

Molecular Properties

Compound Name[(Z)-benzo[e][1]benzofuran-1-ylideneamino] 2-methylbenzoate
PubChem CID58276074
Molecular FormulaC20H15NO3
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Name[(Z)-benzo[e][1]benzofuran-1-ylideneamino] 2-methylbenzoate
SMILESCc1ccccc1C(=O)O/N=C1\COc2ccc3ccccc3c21
InChIInChI=1S/C20H15NO3/c1-13-6-2-4-8-15(13)20(22)24-21-17-12-23-18-11-10-14-7-3-5-9-16(14)19(17)18/h2-11H,12H2,1H3/b21-17+
InChIKeyWYDREURKXJBYPW-HEHNFIMWSA-N
XLogP4.10
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-benzo[e][1]benzofuran-1-ylideneamino] trifluoromethanesulfonate
CID 172959972
1-methyl-3H-benzo[f]chromene-2-carboxamide
CID 163777104
[(Z)-benzo[e][1]benzofuran-1-ylideneamino] benzenesulfonate
CID 87945252
nitroso 2-methylbenzoate
CID 175187431
[[4-(2-methylbenzoyl)oxyiminocyclohexa-2,5-dien-1-ylidene]amino] 2-methylbenzoate
CID 5228996
[(Z)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] naphthalene-1-carboxylate
CID 6523248
[(Z)-1-benzofuran-3-ylideneamino] butanoate
CID 130387783
[(4E)-4-methoxyimino-2,3-dihydrochromen-5-yl]-naphthalen-1-ylmethanone
CID 72712552
bromo 2-methylbenzoate
CID 67185739
(2,3-dihydrobenzo[f]thiochromen-1-ylideneamino) acetate
CID 72528756
2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone
CID 171108154
[(E)-1-(2-methylphenyl)-2-naphthalen-1-ylethenyl] 2-methylbenzoate
CID 21178087

Frequently Asked Questions

What is the IUPAC name of [(Z)-benzo[e][1]benzofuran-1-ylideneamino] 2-methylbenzoate?
The IUPAC name of [(Z)-benzo[e][1]benzofuran-1-ylideneamino] 2-methylbenzoate (CID 58276074) is [(Z)-benzo[e][1]benzofuran-1-ylideneamino] 2-methylbenzoate.
What is the SMILES notation for [(Z)-benzo[e][1]benzofuran-1-ylideneamino] 2-methylbenzoate?
The canonical SMILES for [(Z)-benzo[e][1]benzofuran-1-ylideneamino] 2-methylbenzoate is Cc1ccccc1C(=O)O/N=C1\COc2ccc3ccccc3c21.
What is the InChIKey of [(Z)-benzo[e][1]benzofuran-1-ylideneamino] 2-methylbenzoate?
The InChIKey is WYDREURKXJBYPW-HEHNFIMWSA-N. The full InChI is InChI=1S/C20H15NO3/c1-13-6-2-4-8-15(13)20(22)24-21-17-12-23-18-11-10-14-7-3-5-9-16(14)19(17)18/h2-11H,12H2,1H3/b21-17+.
What are the key properties of [(Z)-benzo[e][1]benzofuran-1-ylideneamino] 2-methylbenzoate?
[(Z)-benzo[e][1]benzofuran-1-ylideneamino] 2-methylbenzoate has a molecular weight of 317.34 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-benzo[e][1]benzofuran-1-ylideneamino] 2-methylbenzoate is sourced from PubChem (CID 58276074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).