(E)-3-pyridin-4-ylprop-2-enehydrazide

C8H9N3O — CID 5473676

IUPAC(E)-3-pyridin-4-ylprop-2-enehydrazide
SMILESNNC(=O)/C=C/c1ccncc1
InChIInChI=1S/C8H9N3O/c9-11-8(12)2-1-7-3-5-10-6-4-7/h1-6H,9H2,(H,11,12)/b2-1+
InChIKeyGYTRMTIGVYLCJX-OWOJBTEDSA-N
MW163.18 g/mol
LogP0.08
Rot. Bonds2

About (E)-3-pyridin-4-ylprop-2-enehydrazide

(E)-3-pyridin-4-ylprop-2-enehydrazide (PubChem CID 5473676) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is (E)-3-pyridin-4-ylprop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-pyridin-4-ylprop-2-enehydrazide
PubChem CID5473676
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name(E)-3-pyridin-4-ylprop-2-enehydrazide
SMILESNNC(=O)/C=C/c1ccncc1
InChIInChI=1S/C8H9N3O/c9-11-8(12)2-1-7-3-5-10-6-4-7/h1-6H,9H2,(H,11,12)/b2-1+
InChIKeyGYTRMTIGVYLCJX-OWOJBTEDSA-N
XLogP0.08
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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

N-hydroxy-3-pyridin-4-ylprop-2-enamide
CID 3623362
(E)-3-(4-aminophenyl)prop-2-enehydrazide
CID 79006134
3-[4-(2-phenylethenyl)phenyl]prop-2-enehydrazide
CID 70432340
(E)-N-ethyl-3-pyridin-4-ylprop-2-enamide
CID 131236538
zinc bis((E)-3-pyridin-4-ylprop-2-enoate)
CID 101142220
N-(1H-pyrazol-5-yl)-3-pyridin-4-ylprop-2-enamide
CID 70007700
(E)-N-hydroxy-3-[4-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]phenyl]prop-2-enamide
CID 11659345
(E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 39399792
methyl (E)-3-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]prop-2-enoate
CID 101358930
(E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 34908465
3-pyridin-4-yl-N-(2H-tetrazol-5-yl)prop-2-enamide
CID 54433090
(E)-3-(3-bromophenyl)prop-2-enehydrazide
CID 43236571

Frequently Asked Questions

What is the IUPAC name of (E)-3-pyridin-4-ylprop-2-enehydrazide?
The IUPAC name of (E)-3-pyridin-4-ylprop-2-enehydrazide (CID 5473676) is (E)-3-pyridin-4-ylprop-2-enehydrazide.
What is the SMILES notation for (E)-3-pyridin-4-ylprop-2-enehydrazide?
The canonical SMILES for (E)-3-pyridin-4-ylprop-2-enehydrazide is NNC(=O)/C=C/c1ccncc1.
What is the InChIKey of (E)-3-pyridin-4-ylprop-2-enehydrazide?
The InChIKey is GYTRMTIGVYLCJX-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H9N3O/c9-11-8(12)2-1-7-3-5-10-6-4-7/h1-6H,9H2,(H,11,12)/b2-1+.
What are the key properties of (E)-3-pyridin-4-ylprop-2-enehydrazide?
(E)-3-pyridin-4-ylprop-2-enehydrazide has a molecular weight of 163.18 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-pyridin-4-ylprop-2-enehydrazide is sourced from PubChem (CID 5473676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).