3-(2-hydrazinylphenyl)prop-2-enal

C9H10N2O — CID 169458787

IUPAC3-(2-hydrazinylphenyl)prop-2-enal
SMILESNNc1ccccc1C=CC=O
InChIInChI=1S/C9H10N2O/c10-11-9-6-2-1-4-8(9)5-3-7-12/h1-7,11H,10H2
InChIKeyHMOJYZNREUGTIM-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.18
Rot. Bonds3

About 3-(2-hydrazinylphenyl)prop-2-enal

3-(2-hydrazinylphenyl)prop-2-enal (PubChem CID 169458787) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-(2-hydrazinylphenyl)prop-2-enal.

Molecular Properties

Compound Name3-(2-hydrazinylphenyl)prop-2-enal
PubChem CID169458787
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name3-(2-hydrazinylphenyl)prop-2-enal
SMILESNNc1ccccc1C=CC=O
InChIInChI=1S/C9H10N2O/c10-11-9-6-2-1-4-8(9)5-3-7-12/h1-7,11H,10H2
InChIKeyHMOJYZNREUGTIM-UHFFFAOYSA-N
XLogP1.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydrazinylphenyl)prop-2-enal?
The IUPAC name of 3-(2-hydrazinylphenyl)prop-2-enal (CID 169458787) is 3-(2-hydrazinylphenyl)prop-2-enal.
What is the SMILES notation for 3-(2-hydrazinylphenyl)prop-2-enal?
The canonical SMILES for 3-(2-hydrazinylphenyl)prop-2-enal is NNc1ccccc1C=CC=O.
What is the InChIKey of 3-(2-hydrazinylphenyl)prop-2-enal?
The InChIKey is HMOJYZNREUGTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c10-11-9-6-2-1-4-8(9)5-3-7-12/h1-7,11H,10H2.
What are the key properties of 3-(2-hydrazinylphenyl)prop-2-enal?
3-(2-hydrazinylphenyl)prop-2-enal has a molecular weight of 162.19 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydrazinylphenyl)prop-2-enal is sourced from PubChem (CID 169458787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).