(E)-3-(4-aminophenyl)prop-2-enehydrazide

C9H11N3O — CID 79006134

IUPAC(E)-3-(4-aminophenyl)prop-2-enehydrazide
SMILESNNC(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C9H11N3O/c10-8-4-1-7(2-5-8)3-6-9(13)12-11/h1-6H,10-11H2,(H,12,13)/b6-3+
InChIKeyMMMZEYMBZMVQPQ-ZZXKWVIFSA-N
MW177.21 g/mol
LogP0.27
Rot. Bonds2

About (E)-3-(4-aminophenyl)prop-2-enehydrazide

(E)-3-(4-aminophenyl)prop-2-enehydrazide (PubChem CID 79006134) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)prop-2-enehydrazide
PubChem CID79006134
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name(E)-3-(4-aminophenyl)prop-2-enehydrazide
SMILESNNC(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C9H11N3O/c10-8-4-1-7(2-5-8)3-6-9(13)12-11/h1-6H,10-11H2,(H,12,13)/b6-3+
InChIKeyMMMZEYMBZMVQPQ-ZZXKWVIFSA-N
XLogP0.27
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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

3-[4-(2-phenylethenyl)phenyl]prop-2-enehydrazide
CID 70432340
(E)-3-pyridin-4-ylprop-2-enehydrazide
CID 5473676
methyl (2S)-2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]propanoate
CID 115343095
(E)-3-(4-aminophenyl)-N-piperidin-1-ylprop-2-enamide
CID 83021636
(E)-N-(4-aminobutyl)-3-(4-aminophenyl)prop-2-enamide
CID 113290885
(E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide
CID 107218565
(E)-3-naphthalen-2-ylprop-2-enehydrazide
CID 70290410
(E)-3-(4-aminophenyl)-N-(2-chloro-4-iodophenyl)prop-2-enamide
CID 115343128
(E)-3-(4-aminophenyl)-N-(3-methyl-2-oxobutyl)prop-2-enamide
CID 59531443
(E)-3-(4-aminophenyl)-N-(2,2-dimethylbutyl)prop-2-enamide
CID 103461593
(E)-3-(4-aminophenyl)-N-(2-cyanoethyl)prop-2-enamide
CID 115342781
(E)-3-(4-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)prop-2-enamide
CID 115344367

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)prop-2-enehydrazide?
The IUPAC name of (E)-3-(4-aminophenyl)prop-2-enehydrazide (CID 79006134) is (E)-3-(4-aminophenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(4-aminophenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-3-(4-aminophenyl)prop-2-enehydrazide is NNC(=O)/C=C/c1ccc(N)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)prop-2-enehydrazide?
The InChIKey is MMMZEYMBZMVQPQ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C9H11N3O/c10-8-4-1-7(2-5-8)3-6-9(13)12-11/h1-6H,10-11H2,(H,12,13)/b6-3+.
What are the key properties of (E)-3-(4-aminophenyl)prop-2-enehydrazide?
(E)-3-(4-aminophenyl)prop-2-enehydrazide has a molecular weight of 177.21 g/mol, XLogP of 0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)prop-2-enehydrazide is sourced from PubChem (CID 79006134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).