(Z,E)-3-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine

C17H19N3O — CID 5347628

IUPAC(Z,E)-3-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
SMILESC(/C=C/c1ccco1)=N/N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H19N3O/c1-2-6-16(7-3-1)19-11-13-20(14-12-19)18-10-4-8-17-9-5-15-21-17/h1-10,15H,11-14H2/b8-4+,18-10-
InChIKeyNYKODBGEQLQNLF-CGNXVJBXSA-N
MW281.36 g/mol
LogP3.10
Rot. Bonds4

About (Z,E)-3-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine

(Z,E)-3-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine (PubChem CID 5347628) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (Z,E)-3-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name(Z,E)-3-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
PubChem CID5347628
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(Z,E)-3-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
SMILESC(/C=C/c1ccco1)=N/N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H19N3O/c1-2-6-16(7-3-1)19-11-13-20(14-12-19)18-10-4-8-17-9-5-15-21-17/h1-10,15H,11-14H2/b8-4+,18-10-
InChIKeyNYKODBGEQLQNLF-CGNXVJBXSA-N
XLogP3.10
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_ene_A(5)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,E)-3-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine?
The IUPAC name of (Z,E)-3-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine (CID 5347628) is (Z,E)-3-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine.
What is the SMILES notation for (Z,E)-3-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine?
The canonical SMILES for (Z,E)-3-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine is C(/C=C/c1ccco1)=N/N1CCN(c2ccccc2)CC1.
What is the InChIKey of (Z,E)-3-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine?
The InChIKey is NYKODBGEQLQNLF-CGNXVJBXSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-6-16(7-3-1)19-11-13-20(14-12-19)18-10-4-8-17-9-5-15-21-17/h1-10,15H,11-14H2/b8-4+,18-10-.
What are the key properties of (Z,E)-3-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine?
(Z,E)-3-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine has a molecular weight of 281.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,E)-3-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine is sourced from PubChem (CID 5347628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).