(E)-3-phenyl-N'-propylprop-2-enehydrazide

C12H16N2O — CID 155529994

IUPAC(E)-3-phenyl-N'-propylprop-2-enehydrazide
SMILESCCCNNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H16N2O/c1-2-10-13-14-12(15)9-8-11-6-4-3-5-7-11/h3-9,13H,2,10H2,1H3,(H,14,15)/b9-8+
InChIKeyOZCDQJDLGNGSGG-CMDGGOBGSA-N
MW204.27 g/mol
LogP1.73
Rot. Bonds5

About (E)-3-phenyl-N'-propylprop-2-enehydrazide

(E)-3-phenyl-N'-propylprop-2-enehydrazide (PubChem CID 155529994) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (E)-3-phenyl-N'-propylprop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-phenyl-N'-propylprop-2-enehydrazide
PubChem CID155529994
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(E)-3-phenyl-N'-propylprop-2-enehydrazide
SMILESCCCNNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H16N2O/c1-2-10-13-14-12(15)9-8-11-6-4-3-5-7-11/h3-9,13H,2,10H2,1H3,(H,14,15)/b9-8+
InChIKeyOZCDQJDLGNGSGG-CMDGGOBGSA-N
XLogP1.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-phenyl-N'-propylprop-2-enehydrazide?
The IUPAC name of (E)-3-phenyl-N'-propylprop-2-enehydrazide (CID 155529994) is (E)-3-phenyl-N'-propylprop-2-enehydrazide.
What is the SMILES notation for (E)-3-phenyl-N'-propylprop-2-enehydrazide?
The canonical SMILES for (E)-3-phenyl-N'-propylprop-2-enehydrazide is CCCNNC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-3-phenyl-N'-propylprop-2-enehydrazide?
The InChIKey is OZCDQJDLGNGSGG-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-10-13-14-12(15)9-8-11-6-4-3-5-7-11/h3-9,13H,2,10H2,1H3,(H,14,15)/b9-8+.
What are the key properties of (E)-3-phenyl-N'-propylprop-2-enehydrazide?
(E)-3-phenyl-N'-propylprop-2-enehydrazide has a molecular weight of 204.27 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N'-propylprop-2-enehydrazide is sourced from PubChem (CID 155529994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).