(Z)-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine

C13H15N — CID 144810158

IUPAC(Z)-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine
SMILESC=C(/N=C/C=C\C)c1ccc(C)cc1
InChIInChI=1S/C13H15N/c1-4-5-10-14-12(3)13-8-6-11(2)7-9-13/h4-10H,3H2,1-2H3/b5-4-,14-10+
InChIKeyZMQDVGACVXKRLU-RZPMEUHXSA-N
MW185.27 g/mol
LogP3.61
Rot. Bonds3

About (Z)-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine

(Z)-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine (PubChem CID 144810158) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is (Z)-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine
PubChem CID144810158
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name(Z)-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine
SMILESC=C(/N=C/C=C\C)c1ccc(C)cc1
InChIInChI=1S/C13H15N/c1-4-5-10-14-12(3)13-8-6-11(2)7-9-13/h4-10H,3H2,1-2H3/b5-4-,14-10+
InChIKeyZMQDVGACVXKRLU-RZPMEUHXSA-N
XLogP3.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.61
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 (Z)-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine?
The IUPAC name of (Z)-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine (CID 144810158) is (Z)-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine.
What is the SMILES notation for (Z)-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine?
The canonical SMILES for (Z)-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine is C=C(/N=C/C=C\C)c1ccc(C)cc1.
What is the InChIKey of (Z)-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine?
The InChIKey is ZMQDVGACVXKRLU-RZPMEUHXSA-N. The full InChI is InChI=1S/C13H15N/c1-4-5-10-14-12(3)13-8-6-11(2)7-9-13/h4-10H,3H2,1-2H3/b5-4-,14-10+.
What are the key properties of (Z)-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine?
(Z)-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine has a molecular weight of 185.27 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine is sourced from PubChem (CID 144810158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).