1-(4-pyrrol-1-ylphenyl)ethanimine

C12H12N2 — CID 145051037

IUPAC1-(4-pyrrol-1-ylphenyl)ethanimine
SMILES[H]/N=C(\C)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C12H12N2/c1-10(13)11-4-6-12(7-5-11)14-8-2-3-9-14/h2-9,13H,1H3/b13-10+
InChIKeyQHUIRGAGMXPTEK-JLHYYAGUSA-N
MW184.24 g/mol
LogP2.87
Rot. Bonds2

About 1-(4-pyrrol-1-ylphenyl)ethanimine

1-(4-pyrrol-1-ylphenyl)ethanimine (PubChem CID 145051037) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(4-pyrrol-1-ylphenyl)ethanimine.

Molecular Properties

Compound Name1-(4-pyrrol-1-ylphenyl)ethanimine
PubChem CID145051037
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name1-(4-pyrrol-1-ylphenyl)ethanimine
SMILES[H]/N=C(\C)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C12H12N2/c1-10(13)11-4-6-12(7-5-11)14-8-2-3-9-14/h2-9,13H,1H3/b13-10+
InChIKeyQHUIRGAGMXPTEK-JLHYYAGUSA-N
XLogP2.87
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(4-pyrrol-1-ylphenyl)ethanimine?
The IUPAC name of 1-(4-pyrrol-1-ylphenyl)ethanimine (CID 145051037) is 1-(4-pyrrol-1-ylphenyl)ethanimine.
What is the SMILES notation for 1-(4-pyrrol-1-ylphenyl)ethanimine?
The canonical SMILES for 1-(4-pyrrol-1-ylphenyl)ethanimine is [H]/N=C(\C)c1ccc(-n2cccc2)cc1.
What is the InChIKey of 1-(4-pyrrol-1-ylphenyl)ethanimine?
The InChIKey is QHUIRGAGMXPTEK-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H12N2/c1-10(13)11-4-6-12(7-5-11)14-8-2-3-9-14/h2-9,13H,1H3/b13-10+.
What are the key properties of 1-(4-pyrrol-1-ylphenyl)ethanimine?
1-(4-pyrrol-1-ylphenyl)ethanimine has a molecular weight of 184.24 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrrol-1-ylphenyl)ethanimine is sourced from PubChem (CID 145051037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).