3-methylideneindol-1-ium

C9H8N+ — CID 18763384

IUPAC3-methylideneindol-1-ium
SMILESC=C1C=[NH+]c2ccccc21
InChIInChI=1S/C9H7N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6H,1H2/p+1
InChIKeyBCNUXXXHEIUHJB-UHFFFAOYSA-O
MW130.17 g/mol
LogP0.50
Rot. Bonds

About 3-methylideneindol-1-ium

3-methylideneindol-1-ium (PubChem CID 18763384) has the molecular formula C9H8N+ and a molecular weight of 130.17 g/mol. Its IUPAC name is 3-methylideneindol-1-ium.

Molecular Properties

Compound Name3-methylideneindol-1-ium
PubChem CID18763384
Molecular FormulaC9H8N+
Molecular Weight130.17 g/mol
Exact Mass130.07
IUPAC Name3-methylideneindol-1-ium
SMILESC=C1C=[NH+]c2ccccc21
InChIInChI=1S/C9H7N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6H,1H2/p+1
InChIKeyBCNUXXXHEIUHJB-UHFFFAOYSA-O
XLogP0.50
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methylideneindol-1-ium?
The IUPAC name of 3-methylideneindol-1-ium (CID 18763384) is 3-methylideneindol-1-ium.
What is the SMILES notation for 3-methylideneindol-1-ium?
The canonical SMILES for 3-methylideneindol-1-ium is C=C1C=[NH+]c2ccccc21.
What is the InChIKey of 3-methylideneindol-1-ium?
The InChIKey is BCNUXXXHEIUHJB-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H7N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6H,1H2/p+1.
What are the key properties of 3-methylideneindol-1-ium?
3-methylideneindol-1-ium has a molecular weight of 130.17 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylideneindol-1-ium is sourced from PubChem (CID 18763384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).