N-(5-chloro-2-prop-1-en-2-ylphenyl)methanimine;ethane

C14H22ClN — CID 145158396

IUPACN-(5-chloro-2-prop-1-en-2-ylphenyl)methanimine;ethane
SMILESC=Nc1cc(Cl)ccc1C(=C)C.CC.CC
InChIInChI=1S/C10H10ClN.2C2H6/c1-7(2)9-5-4-8(11)6-10(9)12-3;2*1-2/h4-6H,1,3H2,2H3;2*1-2H3
InChIKeyJELYJRLDJQLSGC-UHFFFAOYSA-N
MW239.79 g/mol
LogP5.76
Rot. Bonds2

About N-(5-chloro-2-prop-1-en-2-ylphenyl)methanimine;ethane

N-(5-chloro-2-prop-1-en-2-ylphenyl)methanimine;ethane (PubChem CID 145158396) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is N-(5-chloro-2-prop-1-en-2-ylphenyl)methanimine;ethane.

Molecular Properties

Compound NameN-(5-chloro-2-prop-1-en-2-ylphenyl)methanimine;ethane
PubChem CID145158396
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC NameN-(5-chloro-2-prop-1-en-2-ylphenyl)methanimine;ethane
SMILESC=Nc1cc(Cl)ccc1C(=C)C.CC.CC
InChIInChI=1S/C10H10ClN.2C2H6/c1-7(2)9-5-4-8(11)6-10(9)12-3;2*1-2/h4-6H,1,3H2,2H3;2*1-2H3
InChIKeyJELYJRLDJQLSGC-UHFFFAOYSA-N
XLogP5.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.79
LogP ≤ 55.76
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-(5-chloro-2-prop-1-en-2-ylphenyl)methanimine;ethane?
The IUPAC name of N-(5-chloro-2-prop-1-en-2-ylphenyl)methanimine;ethane (CID 145158396) is N-(5-chloro-2-prop-1-en-2-ylphenyl)methanimine;ethane.
What is the SMILES notation for N-(5-chloro-2-prop-1-en-2-ylphenyl)methanimine;ethane?
The canonical SMILES for N-(5-chloro-2-prop-1-en-2-ylphenyl)methanimine;ethane is C=Nc1cc(Cl)ccc1C(=C)C.CC.CC.
What is the InChIKey of N-(5-chloro-2-prop-1-en-2-ylphenyl)methanimine;ethane?
The InChIKey is JELYJRLDJQLSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN.2C2H6/c1-7(2)9-5-4-8(11)6-10(9)12-3;2*1-2/h4-6H,1,3H2,2H3;2*1-2H3.
What are the key properties of N-(5-chloro-2-prop-1-en-2-ylphenyl)methanimine;ethane?
N-(5-chloro-2-prop-1-en-2-ylphenyl)methanimine;ethane has a molecular weight of 239.79 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-prop-1-en-2-ylphenyl)methanimine;ethane is sourced from PubChem (CID 145158396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).