4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]-2-benzofuran-1,3-dione

C16H12N2O3 — CID 130381364

IUPAC4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]-2-benzofuran-1,3-dione
SMILESCN(/N=C\c1cccc2c1C(=O)OC2=O)c1ccccc1
InChIInChI=1S/C16H12N2O3/c1-18(12-7-3-2-4-8-12)17-10-11-6-5-9-13-14(11)16(20)21-15(13)19/h2-10H,1H3/b17-10-
InChIKeyJVOUNZGRBIIHQJ-YVLHZVERSA-N
MW280.28 g/mol
LogP2.47
Rot. Bonds3

About 4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]-2-benzofuran-1,3-dione

4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]-2-benzofuran-1,3-dione (PubChem CID 130381364) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]-2-benzofuran-1,3-dione
PubChem CID130381364
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]-2-benzofuran-1,3-dione
SMILESCN(/N=C\c1cccc2c1C(=O)OC2=O)c1ccccc1
InChIInChI=1S/C16H12N2O3/c1-18(12-7-3-2-4-8-12)17-10-11-6-5-9-13-14(11)16(20)21-15(13)19/h2-10H,1H3/b17-10-
InChIKeyJVOUNZGRBIIHQJ-YVLHZVERSA-N
XLogP2.47
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]-2-benzofuran-1,3-dione?
The IUPAC name of 4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]-2-benzofuran-1,3-dione (CID 130381364) is 4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]-2-benzofuran-1,3-dione.
What is the SMILES notation for 4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]-2-benzofuran-1,3-dione?
The canonical SMILES for 4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]-2-benzofuran-1,3-dione is CN(/N=C\c1cccc2c1C(=O)OC2=O)c1ccccc1.
What is the InChIKey of 4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]-2-benzofuran-1,3-dione?
The InChIKey is JVOUNZGRBIIHQJ-YVLHZVERSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-18(12-7-3-2-4-8-12)17-10-11-6-5-9-13-14(11)16(20)21-15(13)19/h2-10H,1H3/b17-10-.
What are the key properties of 4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]-2-benzofuran-1,3-dione?
4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]-2-benzofuran-1,3-dione has a molecular weight of 280.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]-2-benzofuran-1,3-dione is sourced from PubChem (CID 130381364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).