N-(1H-indol-6-yl)-1-phenylmethanimine

C15H12N2 — CID 19058648

IUPACN-(1H-indol-6-yl)-1-phenylmethanimine
SMILESC(=N/c1ccc2cc[nH]c2c1)\c1ccccc1
InChIInChI=1S/C15H12N2/c1-2-4-12(5-3-1)11-17-14-7-6-13-8-9-16-15(13)10-14/h1-11,16H/b17-11+
InChIKeyBBZRAXBEYSRGEK-GZTJUZNOSA-N
MW220.28 g/mol
LogP3.92
Rot. Bonds2

About N-(1H-indol-6-yl)-1-phenylmethanimine

N-(1H-indol-6-yl)-1-phenylmethanimine (PubChem CID 19058648) has the molecular formula C15H12N2 and a molecular weight of 220.28 g/mol. Its IUPAC name is N-(1H-indol-6-yl)-1-phenylmethanimine.

Molecular Properties

Compound NameN-(1H-indol-6-yl)-1-phenylmethanimine
PubChem CID19058648
Molecular FormulaC15H12N2
Molecular Weight220.28 g/mol
Exact Mass220.10
IUPAC NameN-(1H-indol-6-yl)-1-phenylmethanimine
SMILESC(=N/c1ccc2cc[nH]c2c1)\c1ccccc1
InChIInChI=1S/C15H12N2/c1-2-4-12(5-3-1)11-17-14-7-6-13-8-9-16-15(13)10-14/h1-11,16H/b17-11+
InChIKeyBBZRAXBEYSRGEK-GZTJUZNOSA-N
XLogP3.92
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 53.92
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-(1H-indol-6-yl)-1-phenylmethanimine?
The IUPAC name of N-(1H-indol-6-yl)-1-phenylmethanimine (CID 19058648) is N-(1H-indol-6-yl)-1-phenylmethanimine.
What is the SMILES notation for N-(1H-indol-6-yl)-1-phenylmethanimine?
The canonical SMILES for N-(1H-indol-6-yl)-1-phenylmethanimine is C(=N/c1ccc2cc[nH]c2c1)\c1ccccc1.
What is the InChIKey of N-(1H-indol-6-yl)-1-phenylmethanimine?
The InChIKey is BBZRAXBEYSRGEK-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H12N2/c1-2-4-12(5-3-1)11-17-14-7-6-13-8-9-16-15(13)10-14/h1-11,16H/b17-11+.
What are the key properties of N-(1H-indol-6-yl)-1-phenylmethanimine?
N-(1H-indol-6-yl)-1-phenylmethanimine has a molecular weight of 220.28 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-yl)-1-phenylmethanimine is sourced from PubChem (CID 19058648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).