N-[(Z)-pent-2-en-3-yl]-1-phenylprop-2-en-1-imine

C14H17N — CID 142217148

IUPACN-[(Z)-pent-2-en-3-yl]-1-phenylprop-2-en-1-imine
SMILESC=C/C(=N\C(=C/C)CC)c1ccccc1
InChIInChI=1S/C14H17N/c1-4-13(5-2)15-14(6-3)12-10-8-7-9-11-12/h4,6-11H,3,5H2,1-2H3/b13-4-,15-14+
InChIKeyWDFRUUFRZUBYDC-CCCMZSIFSA-N
MW199.30 g/mol
LogP3.98
Rot. Bonds4

About N-[(Z)-pent-2-en-3-yl]-1-phenylprop-2-en-1-imine

N-[(Z)-pent-2-en-3-yl]-1-phenylprop-2-en-1-imine (PubChem CID 142217148) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is N-[(Z)-pent-2-en-3-yl]-1-phenylprop-2-en-1-imine.

Molecular Properties

Compound NameN-[(Z)-pent-2-en-3-yl]-1-phenylprop-2-en-1-imine
PubChem CID142217148
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC NameN-[(Z)-pent-2-en-3-yl]-1-phenylprop-2-en-1-imine
SMILESC=C/C(=N\C(=C/C)CC)c1ccccc1
InChIInChI=1S/C14H17N/c1-4-13(5-2)15-14(6-3)12-10-8-7-9-11-12/h4,6-11H,3,5H2,1-2H3/b13-4-,15-14+
InChIKeyWDFRUUFRZUBYDC-CCCMZSIFSA-N
XLogP3.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-pent-2-en-3-yl]-1-phenylprop-2-en-1-imine?
The IUPAC name of N-[(Z)-pent-2-en-3-yl]-1-phenylprop-2-en-1-imine (CID 142217148) is N-[(Z)-pent-2-en-3-yl]-1-phenylprop-2-en-1-imine.
What is the SMILES notation for N-[(Z)-pent-2-en-3-yl]-1-phenylprop-2-en-1-imine?
The canonical SMILES for N-[(Z)-pent-2-en-3-yl]-1-phenylprop-2-en-1-imine is C=C/C(=N\C(=C/C)CC)c1ccccc1.
What is the InChIKey of N-[(Z)-pent-2-en-3-yl]-1-phenylprop-2-en-1-imine?
The InChIKey is WDFRUUFRZUBYDC-CCCMZSIFSA-N. The full InChI is InChI=1S/C14H17N/c1-4-13(5-2)15-14(6-3)12-10-8-7-9-11-12/h4,6-11H,3,5H2,1-2H3/b13-4-,15-14+.
What are the key properties of N-[(Z)-pent-2-en-3-yl]-1-phenylprop-2-en-1-imine?
N-[(Z)-pent-2-en-3-yl]-1-phenylprop-2-en-1-imine has a molecular weight of 199.30 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-pent-2-en-3-yl]-1-phenylprop-2-en-1-imine is sourced from PubChem (CID 142217148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).