4-[2-(1-cyclopropylethylidene)hydrazinyl]benzoic acid

C12H14N2O2 — CID 3385757

IUPAC4-[2-(1-cyclopropylethylidene)hydrazinyl]benzoic acid
SMILESCC(=NNc1ccc(C(=O)O)cc1)C1CC1
InChIInChI=1S/C12H14N2O2/c1-8(9-2-3-9)13-14-11-6-4-10(5-7-11)12(15)16/h4-7,9,14H,2-3H2,1H3,(H,15,16)
InChIKeyZXZHKTZCMQDIOC-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.58
Rot. Bonds4

About 4-[2-(1-cyclopropylethylidene)hydrazinyl]benzoic acid

4-[2-(1-cyclopropylethylidene)hydrazinyl]benzoic acid (PubChem CID 3385757) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-[2-(1-cyclopropylethylidene)hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(1-cyclopropylethylidene)hydrazinyl]benzoic acid
PubChem CID3385757
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name4-[2-(1-cyclopropylethylidene)hydrazinyl]benzoic acid
SMILESCC(=NNc1ccc(C(=O)O)cc1)C1CC1
InChIInChI=1S/C12H14N2O2/c1-8(9-2-3-9)13-14-11-6-4-10(5-7-11)12(15)16/h4-7,9,14H,2-3H2,1H3,(H,15,16)
InChIKeyZXZHKTZCMQDIOC-UHFFFAOYSA-N
XLogP2.58
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.58
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-(3,3-dimethylbutan-2-ylidene)hydrazinyl]benzoic acid
CID 126969277
4-[2-(3-methylbutan-2-ylidene)hydrazinyl]benzoic acid
CID 71340445
4-[2-[1-(4-cyclohexylphenyl)ethylidene]hydrazinyl]benzoic acid
CID 3435837
4-[(2Z)-2-(1-nitroethylidene)hydrazinyl]benzoic acid
CID 50887410
4-[(2E)-2-(4-carboxybutan-2-ylidene)hydrazinyl]benzoic acid
CID 5354683
4-[2-(1,3-diamino-1,3-dioxopropan-2-ylidene)hydrazinyl]benzoic acid
CID 4873305
4-[(2Z)-2-[1-(4-hydroxyphenyl)propylidene]hydrazinyl]benzoic acid
CID 136713353
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-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide
CID 5398069
4-(4-carboxycyclohexanecarbonyl)benzoic acid
CID 71338600
4-[(2Z)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzoic acid
CID 9013147

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-cyclopropylethylidene)hydrazinyl]benzoic acid?
The IUPAC name of 4-[2-(1-cyclopropylethylidene)hydrazinyl]benzoic acid (CID 3385757) is 4-[2-(1-cyclopropylethylidene)hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[2-(1-cyclopropylethylidene)hydrazinyl]benzoic acid?
The canonical SMILES for 4-[2-(1-cyclopropylethylidene)hydrazinyl]benzoic acid is CC(=NNc1ccc(C(=O)O)cc1)C1CC1.
What is the InChIKey of 4-[2-(1-cyclopropylethylidene)hydrazinyl]benzoic acid?
The InChIKey is ZXZHKTZCMQDIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(9-2-3-9)13-14-11-6-4-10(5-7-11)12(15)16/h4-7,9,14H,2-3H2,1H3,(H,15,16).
What are the key properties of 4-[2-(1-cyclopropylethylidene)hydrazinyl]benzoic acid?
4-[2-(1-cyclopropylethylidene)hydrazinyl]benzoic acid has a molecular weight of 218.26 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-cyclopropylethylidene)hydrazinyl]benzoic acid is sourced from PubChem (CID 3385757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).