(E)-3-phenylprop-2-enehydrazide

C9H10N2O — CID 5356448

IUPAC(E)-3-phenylprop-2-enehydrazide
SMILESNNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C9H10N2O/c10-11-9(12)7-6-8-4-2-1-3-5-8/h1-7H,10H2,(H,11,12)/b7-6+
InChIKeyMTWDGUWQZYXGTQ-VOTSOKGWSA-N
MW162.19 g/mol
LogP0.69
Rot. Bonds2

About (E)-3-phenylprop-2-enehydrazide

(E)-3-phenylprop-2-enehydrazide (PubChem CID 5356448) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is (E)-3-phenylprop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-phenylprop-2-enehydrazide
PubChem CID5356448
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name(E)-3-phenylprop-2-enehydrazide
SMILESNNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C9H10N2O/c10-11-9(12)7-6-8-4-2-1-3-5-8/h1-7H,10H2,(H,11,12)/b7-6+
InChIKeyMTWDGUWQZYXGTQ-VOTSOKGWSA-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 (E)-3-phenylprop-2-enehydrazide?
The IUPAC name of (E)-3-phenylprop-2-enehydrazide (CID 5356448) is (E)-3-phenylprop-2-enehydrazide.
What is the SMILES notation for (E)-3-phenylprop-2-enehydrazide?
The canonical SMILES for (E)-3-phenylprop-2-enehydrazide is NNC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-3-phenylprop-2-enehydrazide?
The InChIKey is MTWDGUWQZYXGTQ-VOTSOKGWSA-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)/b7-6+.
What are the key properties of (E)-3-phenylprop-2-enehydrazide?
(E)-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 (E)-3-phenylprop-2-enehydrazide is sourced from PubChem (CID 5356448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).