4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoate

C16H13N2O2- — CID 9013358

IUPAC4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoate
SMILESO=C([O-])c1ccc(NN=C2Cc3ccccc3C2)cc1
InChIInChI=1S/C16H14N2O2/c19-16(20)11-5-7-14(8-6-11)17-18-15-9-12-3-1-2-4-13(12)10-15/h1-8,17H,9-10H2,(H,19,20)/p-1
InChIKeyJWUUUHCSHNLFAH-UHFFFAOYSA-M
MW265.29 g/mol
LogP1.62
Rot. Bonds3

About 4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoate

4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoate (PubChem CID 9013358) has the molecular formula C16H13N2O2- and a molecular weight of 265.29 g/mol. Its IUPAC name is 4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoate.

Molecular Properties

Compound Name4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoate
PubChem CID9013358
Molecular FormulaC16H13N2O2-
Molecular Weight265.29 g/mol
Exact Mass265.10
IUPAC Name4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoate
SMILESO=C([O-])c1ccc(NN=C2Cc3ccccc3C2)cc1
InChIInChI=1S/C16H14N2O2/c19-16(20)11-5-7-14(8-6-11)17-18-15-9-12-3-1-2-4-13(12)10-15/h1-8,17H,9-10H2,(H,19,20)/p-1
InChIKeyJWUUUHCSHNLFAH-UHFFFAOYSA-M
XLogP1.62
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoic acid
CID 9013359
copper bis(4-[(2Z)-2-(1,3,4-trioxonaphthalen-2-ylidene)hydrazinyl]benzoate)
CID 46854578
4-[2-(1-ethylpiperidin-1-ium-4-ylidene)hydrazinyl]benzoate
CID 7420077
N-(1,3-dihydroinden-2-ylideneamino)-4-fluorobenzamide
CID 9016757
terephthalate;vanadium(4+)
CID 157213578
dilithium;terephthalate
CID 14361651
dipotassium;terephthalate
CID 25981
4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoate
CID 7744968
4-[(2E)-2-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinyl]benzoic acid
CID 9013002
N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]benzamide
CID 9410916
1,3-bis[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]urea
CID 5467984
2-[(4-carboxylatophenyl)carbamoyl]benzoate
CID 6936041

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoate?
The IUPAC name of 4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoate (CID 9013358) is 4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoate.
What is the SMILES notation for 4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoate?
The canonical SMILES for 4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoate is O=C([O-])c1ccc(NN=C2Cc3ccccc3C2)cc1.
What is the InChIKey of 4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoate?
The InChIKey is JWUUUHCSHNLFAH-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H14N2O2/c19-16(20)11-5-7-14(8-6-11)17-18-15-9-12-3-1-2-4-13(12)10-15/h1-8,17H,9-10H2,(H,19,20)/p-1.
What are the key properties of 4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoate?
4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoate has a molecular weight of 265.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoate is sourced from PubChem (CID 9013358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).