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

C16H14N2O2 — CID 9013359

IUPAC4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoic acid
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)
InChIKeyJWUUUHCSHNLFAH-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.95
Rot. Bonds3

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

4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoic acid (PubChem CID 9013359) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoic acid
PubChem CID9013359
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoic acid
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)
InChIKeyJWUUUHCSHNLFAH-UHFFFAOYSA-N
XLogP2.95
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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]benzoate
CID 9013358
4-[(2E)-2-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinyl]benzoic acid
CID 9013002
4-(oxidoamino)benzoic acid
CID 54746218
4-(2-benzylidenehydrazinyl)benzoic acid
CID 66776702
4-[(2E)-2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]hydrazinyl]benzoic acid
CID 9012915
Lithium benzoate, 99%
CID 57451198
4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 3681408
N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]benzamide
CID 9410916
azanide;benzoic acid;copper(1+)
CID 174921142
[(4-carboxyphenyl)hydrazinylidene]-diphenylazanium nitrate
CID 134879860
terephthalic acid
CID 160582437
4-[2-(1,3-diamino-1,3-dioxopropan-2-ylidene)hydrazinyl]benzoic acid
CID 4873305

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoic acid?
The IUPAC name of 4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoic acid (CID 9013359) is 4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoic acid?
The canonical SMILES for 4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoic acid is O=C(O)c1ccc(NN=C2Cc3ccccc3C2)cc1.
What is the InChIKey of 4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoic acid?
The InChIKey is JWUUUHCSHNLFAH-UHFFFAOYSA-N. 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).
What are the key properties of 4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoic acid?
4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoic acid has a molecular weight of 266.30 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoic acid is sourced from PubChem (CID 9013359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).