(E)-3-(5-amino-2-hydrazinylphenyl)prop-2-enoic acid

C9H11N3O2 — CID 131243508

IUPAC(E)-3-(5-amino-2-hydrazinylphenyl)prop-2-enoic acid
SMILESNNc1ccc(N)cc1/C=C/C(=O)O
InChIInChI=1S/C9H11N3O2/c10-7-2-3-8(12-11)6(5-7)1-4-9(13)14/h1-5,12H,10-11H2,(H,13,14)/b4-1+
InChIKeyHWSXNJYDVFILDH-DAFODLJHSA-N
MW193.21 g/mol
LogP0.65
Rot. Bonds3

About (E)-3-(5-amino-2-hydrazinylphenyl)prop-2-enoic acid

(E)-3-(5-amino-2-hydrazinylphenyl)prop-2-enoic acid (PubChem CID 131243508) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is (E)-3-(5-amino-2-hydrazinylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(5-amino-2-hydrazinylphenyl)prop-2-enoic acid
PubChem CID131243508
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name(E)-3-(5-amino-2-hydrazinylphenyl)prop-2-enoic acid
SMILESNNc1ccc(N)cc1/C=C/C(=O)O
InChIInChI=1S/C9H11N3O2/c10-7-2-3-8(12-11)6(5-7)1-4-9(13)14/h1-5,12H,10-11H2,(H,13,14)/b4-1+
InChIKeyHWSXNJYDVFILDH-DAFODLJHSA-N
XLogP0.65
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-amino-2-bromophenyl)prop-2-enoic acid
CID 131240155
(E)-3-(4-bromo-2-hydrazinylphenyl)prop-2-enoic acid
CID 118839664
methyl (E)-3-[4-amino-2-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 20667123
3-[4-amino-2-(2-chloroethyl)phenyl]prop-2-enoic acid
CID 67571447
(E)-3-(5-amino-1H-indol-3-yl)prop-2-enoic acid;hydrochloride
CID 170872349
3-(4-amino-2-diethylphosphanylphenyl)prop-2-enoic acid
CID 67610323
3-(2-amino-5-fluorophenyl)prop-2-enoic acid
CID 123339785
(E)-3-(2,5-diaminophenyl)-N-methylprop-2-enamide;hydrochloride
CID 23431722
3-(2-amino-5-bromophenyl)prop-2-enoic acid
CID 154064059
3-(2-amino-4-fluorophenyl)prop-2-enoic acid
CID 169460317
3-(2,3-diaminophenyl)prop-2-enoic acid
CID 169460294
(E)-3-(5-amino-2-hydroxyphenyl)-N-(4-aminophenyl)prop-2-enamide
CID 12067437

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-amino-2-hydrazinylphenyl)prop-2-enoic acid?
The IUPAC name of (E)-3-(5-amino-2-hydrazinylphenyl)prop-2-enoic acid (CID 131243508) is (E)-3-(5-amino-2-hydrazinylphenyl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(5-amino-2-hydrazinylphenyl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(5-amino-2-hydrazinylphenyl)prop-2-enoic acid is NNc1ccc(N)cc1/C=C/C(=O)O.
What is the InChIKey of (E)-3-(5-amino-2-hydrazinylphenyl)prop-2-enoic acid?
The InChIKey is HWSXNJYDVFILDH-DAFODLJHSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-7-2-3-8(12-11)6(5-7)1-4-9(13)14/h1-5,12H,10-11H2,(H,13,14)/b4-1+.
What are the key properties of (E)-3-(5-amino-2-hydrazinylphenyl)prop-2-enoic acid?
(E)-3-(5-amino-2-hydrazinylphenyl)prop-2-enoic acid has a molecular weight of 193.21 g/mol, XLogP of 0.65, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-amino-2-hydrazinylphenyl)prop-2-enoic acid is sourced from PubChem (CID 131243508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).