(9E)-9-[(4-methoxybenzoyl)hydrazinylidene]fluorene-1-carboxylic acid

C22H16N2O4 — CID 162639298

IUPAC(9E)-9-[(4-methoxybenzoyl)hydrazinylidene]fluorene-1-carboxylic acid
SMILESCOc1ccc(C(=O)N/N=C2\c3ccccc3-c3cccc(C(=O)O)c32)cc1
InChIInChI=1S/C22H16N2O4/c1-28-14-11-9-13(10-12-14)21(25)24-23-20-17-6-3-2-5-15(17)16-7-4-8-18(19(16)20)22(26)27/h2-12H,1H3,(H,24,25)(H,26,27)/b23-20+
InChIKeyZTUHEIZQQRUEFN-BSYVCWPDSA-N
MW372.38 g/mol
LogP3.56
Rot. Bonds4

About (9E)-9-[(4-methoxybenzoyl)hydrazinylidene]fluorene-1-carboxylic acid

(9E)-9-[(4-methoxybenzoyl)hydrazinylidene]fluorene-1-carboxylic acid (PubChem CID 162639298) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is (9E)-9-[(4-methoxybenzoyl)hydrazinylidene]fluorene-1-carboxylic acid.

Molecular Properties

Compound Name(9E)-9-[(4-methoxybenzoyl)hydrazinylidene]fluorene-1-carboxylic acid
PubChem CID162639298
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Name(9E)-9-[(4-methoxybenzoyl)hydrazinylidene]fluorene-1-carboxylic acid
SMILESCOc1ccc(C(=O)N/N=C2\c3ccccc3-c3cccc(C(=O)O)c32)cc1
InChIInChI=1S/C22H16N2O4/c1-28-14-11-9-13(10-12-14)21(25)24-23-20-17-6-3-2-5-15(17)16-7-4-8-18(19(16)20)22(26)27/h2-12H,1H3,(H,24,25)(H,26,27)/b23-20+
InChIKeyZTUHEIZQQRUEFN-BSYVCWPDSA-N
XLogP3.56
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_zone_A(2)', '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 (9E)-9-[(4-methoxybenzoyl)hydrazinylidene]fluorene-1-carboxylic acid?
The IUPAC name of (9E)-9-[(4-methoxybenzoyl)hydrazinylidene]fluorene-1-carboxylic acid (CID 162639298) is (9E)-9-[(4-methoxybenzoyl)hydrazinylidene]fluorene-1-carboxylic acid.
What is the SMILES notation for (9E)-9-[(4-methoxybenzoyl)hydrazinylidene]fluorene-1-carboxylic acid?
The canonical SMILES for (9E)-9-[(4-methoxybenzoyl)hydrazinylidene]fluorene-1-carboxylic acid is COc1ccc(C(=O)N/N=C2\c3ccccc3-c3cccc(C(=O)O)c32)cc1.
What is the InChIKey of (9E)-9-[(4-methoxybenzoyl)hydrazinylidene]fluorene-1-carboxylic acid?
The InChIKey is ZTUHEIZQQRUEFN-BSYVCWPDSA-N. The full InChI is InChI=1S/C22H16N2O4/c1-28-14-11-9-13(10-12-14)21(25)24-23-20-17-6-3-2-5-15(17)16-7-4-8-18(19(16)20)22(26)27/h2-12H,1H3,(H,24,25)(H,26,27)/b23-20+.
What are the key properties of (9E)-9-[(4-methoxybenzoyl)hydrazinylidene]fluorene-1-carboxylic acid?
(9E)-9-[(4-methoxybenzoyl)hydrazinylidene]fluorene-1-carboxylic acid has a molecular weight of 372.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-9-[(4-methoxybenzoyl)hydrazinylidene]fluorene-1-carboxylic acid is sourced from PubChem (CID 162639298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).