3-phenylprop-2-enehydrazide

C9H10N2O — CID 19057

IUPAC3-phenylprop-2-enehydrazide
SMILESNNC(=O)C=Cc1ccccc1
InChIInChI=1S/C9H10N2O/c10-11-9(12)7-6-8-4-2-1-3-5-8/h1-7H,10H2,(H,11,12)
InChIKeyMTWDGUWQZYXGTQ-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.69
Rot. Bonds2

About 3-phenylprop-2-enehydrazide

3-phenylprop-2-enehydrazide (PubChem CID 19057) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-phenylprop-2-enehydrazide.

Molecular Properties

Compound Name3-phenylprop-2-enehydrazide
PubChem CID19057
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name3-phenylprop-2-enehydrazide
SMILESNNC(=O)C=Cc1ccccc1
InChIInChI=1S/C9H10N2O/c10-11-9(12)7-6-8-4-2-1-3-5-8/h1-7H,10H2,(H,11,12)
InChIKeyMTWDGUWQZYXGTQ-UHFFFAOYSA-N
XLogP0.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 3-phenylprop-2-enehydrazide?
The IUPAC name of 3-phenylprop-2-enehydrazide (CID 19057) is 3-phenylprop-2-enehydrazide.
What is the SMILES notation for 3-phenylprop-2-enehydrazide?
The canonical SMILES for 3-phenylprop-2-enehydrazide is NNC(=O)C=Cc1ccccc1.
What is the InChIKey of 3-phenylprop-2-enehydrazide?
The InChIKey is MTWDGUWQZYXGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c10-11-9(12)7-6-8-4-2-1-3-5-8/h1-7H,10H2,(H,11,12).
What are the key properties of 3-phenylprop-2-enehydrazide?
3-phenylprop-2-enehydrazide has a molecular weight of 162.19 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylprop-2-enehydrazide is sourced from PubChem (CID 19057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).