4-[2-(3-methylbutan-2-ylidene)hydrazinyl]benzoic acid

C12H16N2O2 — CID 71340445

IUPAC4-[2-(3-methylbutan-2-ylidene)hydrazinyl]benzoic acid
SMILESCC(=NNc1ccc(C(=O)O)cc1)C(C)C
InChIInChI=1S/C12H16N2O2/c1-8(2)9(3)13-14-11-6-4-10(5-7-11)12(15)16/h4-8,14H,1-3H3,(H,15,16)
InChIKeyUNDIWHYFUVTYKY-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.83
Rot. Bonds4

About 4-[2-(3-methylbutan-2-ylidene)hydrazinyl]benzoic acid

4-[2-(3-methylbutan-2-ylidene)hydrazinyl]benzoic acid (PubChem CID 71340445) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-[2-(3-methylbutan-2-ylidene)hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(3-methylbutan-2-ylidene)hydrazinyl]benzoic acid
PubChem CID71340445
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-[2-(3-methylbutan-2-ylidene)hydrazinyl]benzoic acid
SMILESCC(=NNc1ccc(C(=O)O)cc1)C(C)C
InChIInChI=1S/C12H16N2O2/c1-8(2)9(3)13-14-11-6-4-10(5-7-11)12(15)16/h4-8,14H,1-3H3,(H,15,16)
InChIKeyUNDIWHYFUVTYKY-UHFFFAOYSA-N
XLogP2.83
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.83
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

N-[(Z)-3-methylbutan-2-ylideneamino]aniline
CID 5484372
4-[2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]benzoic acid
CID 126969277
4-[(2Z)-2-(1-nitroethylidene)hydrazinyl]benzoic acid
CID 50887410
4-[(2E)-2-(4-carboxybutan-2-ylidene)hydrazinyl]benzoic acid
CID 5354683
4-[2-(1-cyclopropylethylidene)hydrazinyl]benzoic acid
CID 3385757
4-[2-(1,3-diamino-1,3-dioxopropan-2-ylidene)hydrazinyl]benzoic acid
CID 4873305
4-[(2E)-2-[1-(1-propan-2-ylpyrazol-4-yl)ethylidene]hydrazinyl]benzoic acid
CID 75406056
4-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]benzoic acid
CID 5378098
4-[(2Z)-2-[1-(2,5-dimethylphenyl)ethylidene]hydrazinyl]benzoic acid
CID 9012816
4-[(2Z)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzoic acid
CID 9013147
4-[(2Z)-2-[1-(4-hydroxyphenyl)propylidene]hydrazinyl]benzoic acid
CID 136713353
4-acetyl(11C)benzoic acid
CID 11205952

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylbutan-2-ylidene)hydrazinyl]benzoic acid?
The IUPAC name of 4-[2-(3-methylbutan-2-ylidene)hydrazinyl]benzoic acid (CID 71340445) is 4-[2-(3-methylbutan-2-ylidene)hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[2-(3-methylbutan-2-ylidene)hydrazinyl]benzoic acid?
The canonical SMILES for 4-[2-(3-methylbutan-2-ylidene)hydrazinyl]benzoic acid is CC(=NNc1ccc(C(=O)O)cc1)C(C)C.
What is the InChIKey of 4-[2-(3-methylbutan-2-ylidene)hydrazinyl]benzoic acid?
The InChIKey is UNDIWHYFUVTYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(2)9(3)13-14-11-6-4-10(5-7-11)12(15)16/h4-8,14H,1-3H3,(H,15,16).
What are the key properties of 4-[2-(3-methylbutan-2-ylidene)hydrazinyl]benzoic acid?
4-[2-(3-methylbutan-2-ylidene)hydrazinyl]benzoic acid has a molecular weight of 220.27 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylbutan-2-ylidene)hydrazinyl]benzoic acid is sourced from PubChem (CID 71340445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).