N'-[(E)-3-phenylprop-2-enoyl]furan-2-carbohydrazide

C14H12N2O3 — CID 809418

IUPACN'-[(E)-3-phenylprop-2-enoyl]furan-2-carbohydrazide
SMILESO=C(/C=C/c1ccccc1)NNC(=O)c1ccco1
InChIInChI=1S/C14H12N2O3/c17-13(9-8-11-5-2-1-3-6-11)15-16-14(18)12-7-4-10-19-12/h1-10H,(H,15,17)(H,16,18)/b9-8+
InChIKeySVSKGPPHVILICE-CMDGGOBGSA-N
MW256.26 g/mol
LogP1.75
Rot. Bonds3

About N'-[(E)-3-phenylprop-2-enoyl]furan-2-carbohydrazide

N'-[(E)-3-phenylprop-2-enoyl]furan-2-carbohydrazide (PubChem CID 809418) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is N'-[(E)-3-phenylprop-2-enoyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-phenylprop-2-enoyl]furan-2-carbohydrazide
PubChem CID809418
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC NameN'-[(E)-3-phenylprop-2-enoyl]furan-2-carbohydrazide
SMILESO=C(/C=C/c1ccccc1)NNC(=O)c1ccco1
InChIInChI=1S/C14H12N2O3/c17-13(9-8-11-5-2-1-3-6-11)15-16-14(18)12-7-4-10-19-12/h1-10H,(H,15,17)(H,16,18)/b9-8+
InChIKeySVSKGPPHVILICE-CMDGGOBGSA-N
XLogP1.75
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 N'-[(E)-3-phenylprop-2-enoyl]furan-2-carbohydrazide?
The IUPAC name of N'-[(E)-3-phenylprop-2-enoyl]furan-2-carbohydrazide (CID 809418) is N'-[(E)-3-phenylprop-2-enoyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-phenylprop-2-enoyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[(E)-3-phenylprop-2-enoyl]furan-2-carbohydrazide is O=C(/C=C/c1ccccc1)NNC(=O)c1ccco1.
What is the InChIKey of N'-[(E)-3-phenylprop-2-enoyl]furan-2-carbohydrazide?
The InChIKey is SVSKGPPHVILICE-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-13(9-8-11-5-2-1-3-6-11)15-16-14(18)12-7-4-10-19-12/h1-10H,(H,15,17)(H,16,18)/b9-8+.
What are the key properties of N'-[(E)-3-phenylprop-2-enoyl]furan-2-carbohydrazide?
N'-[(E)-3-phenylprop-2-enoyl]furan-2-carbohydrazide has a molecular weight of 256.26 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-phenylprop-2-enoyl]furan-2-carbohydrazide is sourced from PubChem (CID 809418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).