2-(1H-indol-3-yl)ethenyl-methylidyneazanium

C11H9N2+ — CID 162800591

IUPAC2-(1H-indol-3-yl)ethenyl-methylidyneazanium
SMILESC#[N+]C=Cc1c[nH]c2ccccc12
InChIInChI=1S/C11H9N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h1-8,13H/q+1
InChIKeyJJQIGGJRTGSPQS-UHFFFAOYSA-N
MW169.21 g/mol
LogP3.10
Rot. Bonds1

About 2-(1H-indol-3-yl)ethenyl-methylidyneazanium

2-(1H-indol-3-yl)ethenyl-methylidyneazanium (PubChem CID 162800591) has the molecular formula C11H9N2+ and a molecular weight of 169.21 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)ethenyl-methylidyneazanium.

Molecular Properties

Compound Name2-(1H-indol-3-yl)ethenyl-methylidyneazanium
PubChem CID162800591
Molecular FormulaC11H9N2+
Molecular Weight169.21 g/mol
Exact Mass169.08
IUPAC Name2-(1H-indol-3-yl)ethenyl-methylidyneazanium
SMILESC#[N+]C=Cc1c[nH]c2ccccc12
InChIInChI=1S/C11H9N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h1-8,13H/q+1
InChIKeyJJQIGGJRTGSPQS-UHFFFAOYSA-N
XLogP3.10
TPSA20.15 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-(2-pyridin-2-ylethenyl)-1H-indole
CID 67252498
3-[(E)-3-phenylprop-1-enyl]-1H-indole
CID 89155870
(E)-3-(1H-indol-3-yl)prop-2-enethioamide
CID 119088775
1,3-bis(1H-indol-3-yl)prop-2-en-1-one
CID 4206840
4-[(Z)-2-(1H-indol-3-yl)ethenyl]quinoline
CID 54609523
3-(2,2-dibromoethenyl)-1H-indole
CID 130532177
1H-indol-3-ylmethylidenephosphane
CID 136612599
1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-ol
CID 3751005
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide
CID 54348960
2-(1H-indol-3-yl)ethenyl 3-(1H-indol-3-yl)prop-2-enoate
CID 163135142
3-[(Z)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]-1H-indole iodide
CID 54609818
1H-indole-3-carbaldehyde;1H-indole-3-carboxylic acid
CID 87759700

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)ethenyl-methylidyneazanium?
The IUPAC name of 2-(1H-indol-3-yl)ethenyl-methylidyneazanium (CID 162800591) is 2-(1H-indol-3-yl)ethenyl-methylidyneazanium.
What is the SMILES notation for 2-(1H-indol-3-yl)ethenyl-methylidyneazanium?
The canonical SMILES for 2-(1H-indol-3-yl)ethenyl-methylidyneazanium is C#[N+]C=Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)ethenyl-methylidyneazanium?
The InChIKey is JJQIGGJRTGSPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h1-8,13H/q+1.
What are the key properties of 2-(1H-indol-3-yl)ethenyl-methylidyneazanium?
2-(1H-indol-3-yl)ethenyl-methylidyneazanium has a molecular weight of 169.21 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)ethenyl-methylidyneazanium is sourced from PubChem (CID 162800591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).