(E)-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide

C16H15N3O3 — CID 5333643

IUPAC(E)-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCC(=O)N/N=C/c1ccco1
InChIInChI=1S/C16H15N3O3/c20-15(9-8-13-5-2-1-3-6-13)17-12-16(21)19-18-11-14-7-4-10-22-14/h1-11H,12H2,(H,17,20)(H,19,21)/b9-8+,18-11+
InChIKeyCJDMPJYLLFDULC-OSVAPHAJSA-N
MW297.31 g/mol
LogP1.56
Rot. Bonds6

About (E)-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide

(E)-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide (PubChem CID 5333643) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is (E)-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
PubChem CID5333643
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name(E)-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCC(=O)N/N=C/c1ccco1
InChIInChI=1S/C16H15N3O3/c20-15(9-8-13-5-2-1-3-6-13)17-12-16(21)19-18-11-14-7-4-10-22-14/h1-11H,12H2,(H,17,20)(H,19,21)/b9-8+,18-11+
InChIKeyCJDMPJYLLFDULC-OSVAPHAJSA-N
XLogP1.56
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide (CID 5333643) is (E)-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCC(=O)N/N=C/c1ccco1.
What is the InChIKey of (E)-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide?
The InChIKey is CJDMPJYLLFDULC-OSVAPHAJSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-15(9-8-13-5-2-1-3-6-13)17-12-16(21)19-18-11-14-7-4-10-22-14/h1-11H,12H2,(H,17,20)(H,19,21)/b9-8+,18-11+.
What are the key properties of (E)-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide?
(E)-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide has a molecular weight of 297.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 5333643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).