ethylbenzene;N-(2-prop-1-en-2-ylphenyl)methanimine

C18H21N — CID 144705289

IUPACethylbenzene;N-(2-prop-1-en-2-ylphenyl)methanimine
SMILESC=Nc1ccccc1C(=C)C.CCc1ccccc1
InChIInChI=1S/C10H11N.C8H10/c1-8(2)9-6-4-5-7-10(9)11-3;1-2-8-6-4-3-5-7-8/h4-7H,1,3H2,2H3;3-7H,2H2,1H3
InChIKeyZGPIQXNWWXLYHM-UHFFFAOYSA-N
MW251.37 g/mol
LogP5.30
Rot. Bonds3

About ethylbenzene;N-(2-prop-1-en-2-ylphenyl)methanimine

ethylbenzene;N-(2-prop-1-en-2-ylphenyl)methanimine (PubChem CID 144705289) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is ethylbenzene;N-(2-prop-1-en-2-ylphenyl)methanimine.

Molecular Properties

Compound Nameethylbenzene;N-(2-prop-1-en-2-ylphenyl)methanimine
PubChem CID144705289
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Nameethylbenzene;N-(2-prop-1-en-2-ylphenyl)methanimine
SMILESC=Nc1ccccc1C(=C)C.CCc1ccccc1
InChIInChI=1S/C10H11N.C8H10/c1-8(2)9-6-4-5-7-10(9)11-3;1-2-8-6-4-3-5-7-8/h4-7H,1,3H2,2H3;3-7H,2H2,1H3
InChIKeyZGPIQXNWWXLYHM-UHFFFAOYSA-N
XLogP5.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.37
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-(2-prop-1-en-2-ylphenyl)methanimine
CID 145330488
1,2-bis(prop-1-en-2-yl)benzene;propane
CID 142274191
1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
CID 175029396
ethylcyclodecapentaene
CID 90861705
ethane;ethylbenzene;methanol
CID 90833594
N-[2-(1-chloroethenyl)phenyl]methanimine
CID 123453990
ethylbenzene;molybdenum
CID 161189179
sulfanium ethylbenzene
CID 22726309
ethane;ethylbenzene
CID 90887003
1-benzyl-2-prop-1-en-2-ylbenzene
CID 12535340
butane-2,3-dione;ethylbenzene
CID 174875574
ethylbenzene;2-methylbut-2-ene
CID 145143829

Frequently Asked Questions

What is the IUPAC name of ethylbenzene;N-(2-prop-1-en-2-ylphenyl)methanimine?
The IUPAC name of ethylbenzene;N-(2-prop-1-en-2-ylphenyl)methanimine (CID 144705289) is ethylbenzene;N-(2-prop-1-en-2-ylphenyl)methanimine.
What is the SMILES notation for ethylbenzene;N-(2-prop-1-en-2-ylphenyl)methanimine?
The canonical SMILES for ethylbenzene;N-(2-prop-1-en-2-ylphenyl)methanimine is C=Nc1ccccc1C(=C)C.CCc1ccccc1.
What is the InChIKey of ethylbenzene;N-(2-prop-1-en-2-ylphenyl)methanimine?
The InChIKey is ZGPIQXNWWXLYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.C8H10/c1-8(2)9-6-4-5-7-10(9)11-3;1-2-8-6-4-3-5-7-8/h4-7H,1,3H2,2H3;3-7H,2H2,1H3.
What are the key properties of ethylbenzene;N-(2-prop-1-en-2-ylphenyl)methanimine?
ethylbenzene;N-(2-prop-1-en-2-ylphenyl)methanimine has a molecular weight of 251.37 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;N-(2-prop-1-en-2-ylphenyl)methanimine is sourced from PubChem (CID 144705289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).