(E)-N'-butyl-3-phenylprop-2-enehydrazide

C13H18N2O — CID 139575817

IUPAC(E)-N'-butyl-3-phenylprop-2-enehydrazide
SMILESCCCCNNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H18N2O/c1-2-3-11-14-15-13(16)10-9-12-7-5-4-6-8-12/h4-10,14H,2-3,11H2,1H3,(H,15,16)/b10-9+
InChIKeyFKXZPVNTHKXRQT-MDZDMXLPSA-N
MW218.30 g/mol
LogP2.12
Rot. Bonds6

About (E)-N'-butyl-3-phenylprop-2-enehydrazide

(E)-N'-butyl-3-phenylprop-2-enehydrazide (PubChem CID 139575817) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (E)-N'-butyl-3-phenylprop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-butyl-3-phenylprop-2-enehydrazide
PubChem CID139575817
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(E)-N'-butyl-3-phenylprop-2-enehydrazide
SMILESCCCCNNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H18N2O/c1-2-3-11-14-15-13(16)10-9-12-7-5-4-6-8-12/h4-10,14H,2-3,11H2,1H3,(H,15,16)/b10-9+
InChIKeyFKXZPVNTHKXRQT-MDZDMXLPSA-N
XLogP2.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.12
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)-N'-butyl-3-phenylprop-2-enehydrazide?
The IUPAC name of (E)-N'-butyl-3-phenylprop-2-enehydrazide (CID 139575817) is (E)-N'-butyl-3-phenylprop-2-enehydrazide.
What is the SMILES notation for (E)-N'-butyl-3-phenylprop-2-enehydrazide?
The canonical SMILES for (E)-N'-butyl-3-phenylprop-2-enehydrazide is CCCCNNC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N'-butyl-3-phenylprop-2-enehydrazide?
The InChIKey is FKXZPVNTHKXRQT-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-3-11-14-15-13(16)10-9-12-7-5-4-6-8-12/h4-10,14H,2-3,11H2,1H3,(H,15,16)/b10-9+.
What are the key properties of (E)-N'-butyl-3-phenylprop-2-enehydrazide?
(E)-N'-butyl-3-phenylprop-2-enehydrazide has a molecular weight of 218.30 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-butyl-3-phenylprop-2-enehydrazide is sourced from PubChem (CID 139575817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).