N-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethanimine

C13H14N2 — CID 139106045

IUPACN-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethanimine
SMILESC/C(=N\c1ccc(C)cc1)c1ccc[nH]1
InChIInChI=1S/C13H14N2/c1-10-5-7-12(8-6-10)15-11(2)13-4-3-9-14-13/h3-9,14H,1-2H3/b15-11+
InChIKeySHRRIXOSEWPYDX-RVDMUPIBSA-N
MW198.27 g/mol
LogP3.46
Rot. Bonds2

About N-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethanimine

N-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethanimine (PubChem CID 139106045) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethanimine.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethanimine
PubChem CID139106045
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC NameN-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethanimine
SMILESC/C(=N\c1ccc(C)cc1)c1ccc[nH]1
InChIInChI=1S/C13H14N2/c1-10-5-7-12(8-6-10)15-11(2)13-4-3-9-14-13/h3-9,14H,1-2H3/b15-11+
InChIKeySHRRIXOSEWPYDX-RVDMUPIBSA-N
XLogP3.46
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.46
H-Bond Donors ≤ 51
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-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethanimine?
The IUPAC name of N-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethanimine (CID 139106045) is N-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethanimine.
What is the SMILES notation for N-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethanimine?
The canonical SMILES for N-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethanimine is C/C(=N\c1ccc(C)cc1)c1ccc[nH]1.
What is the InChIKey of N-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethanimine?
The InChIKey is SHRRIXOSEWPYDX-RVDMUPIBSA-N. The full InChI is InChI=1S/C13H14N2/c1-10-5-7-12(8-6-10)15-11(2)13-4-3-9-14-13/h3-9,14H,1-2H3/b15-11+.
What are the key properties of N-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethanimine?
N-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethanimine has a molecular weight of 198.27 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethanimine is sourced from PubChem (CID 139106045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).