(E)-1-phenyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine

C14H17N — CID 142421269

IUPAC(E)-1-phenyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine
SMILES[H]/N=C(C(/C=C\C)=C/CC)\c1ccccc1
InChIInChI=1S/C14H17N/c1-3-8-12(9-4-2)14(15)13-10-6-5-7-11-13/h3,5-11,15H,4H2,1-2H3/b8-3-,12-9+,15-14-
InChIKeyZASPFJDSIYVTDV-OLMWHJCUSA-N
MW199.30 g/mol
LogP3.97
Rot. Bonds4

About (E)-1-phenyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine

(E)-1-phenyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine (PubChem CID 142421269) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is (E)-1-phenyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine.

Molecular Properties

Compound Name(E)-1-phenyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine
PubChem CID142421269
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name(E)-1-phenyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine
SMILES[H]/N=C(C(/C=C\C)=C/CC)\c1ccccc1
InChIInChI=1S/C14H17N/c1-3-8-12(9-4-2)14(15)13-10-6-5-7-11-13/h3,5-11,15H,4H2,1-2H3/b8-3-,12-9+,15-14-
InChIKeyZASPFJDSIYVTDV-OLMWHJCUSA-N
XLogP3.97
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine?
The IUPAC name of (E)-1-phenyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine (CID 142421269) is (E)-1-phenyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine.
What is the SMILES notation for (E)-1-phenyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine?
The canonical SMILES for (E)-1-phenyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine is [H]/N=C(C(/C=C\C)=C/CC)\c1ccccc1.
What is the InChIKey of (E)-1-phenyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine?
The InChIKey is ZASPFJDSIYVTDV-OLMWHJCUSA-N. The full InChI is InChI=1S/C14H17N/c1-3-8-12(9-4-2)14(15)13-10-6-5-7-11-13/h3,5-11,15H,4H2,1-2H3/b8-3-,12-9+,15-14-.
What are the key properties of (E)-1-phenyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine?
(E)-1-phenyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine has a molecular weight of 199.30 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine is sourced from PubChem (CID 142421269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).