2-methylideneindol-1-ium

C9H8N+ — CID 59596733

IUPAC2-methylideneindol-1-ium
SMILESC=C1C=c2ccccc2=[NH+]1
InChIInChI=1S/C9H7N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H2/p+1
InChIKeyDQNVJWKDCCSMLW-UHFFFAOYSA-O
MW130.17 g/mol
LogP-1.31
Rot. Bonds

About 2-methylideneindol-1-ium

2-methylideneindol-1-ium (PubChem CID 59596733) has the molecular formula C9H8N+ and a molecular weight of 130.17 g/mol. Its IUPAC name is 2-methylideneindol-1-ium.

Molecular Properties

Compound Name2-methylideneindol-1-ium
PubChem CID59596733
Molecular FormulaC9H8N+
Molecular Weight130.17 g/mol
Exact Mass130.07
IUPAC Name2-methylideneindol-1-ium
SMILESC=C1C=c2ccccc2=[NH+]1
InChIInChI=1S/C9H7N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H2/p+1
InChIKeyDQNVJWKDCCSMLW-UHFFFAOYSA-O
XLogP-1.31
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 ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 2-methylideneindol-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylideneindol-1-ium?
The IUPAC name of 2-methylideneindol-1-ium (CID 59596733) is 2-methylideneindol-1-ium.
What is the SMILES notation for 2-methylideneindol-1-ium?
The canonical SMILES for 2-methylideneindol-1-ium is C=C1C=c2ccccc2=[NH+]1.
What is the InChIKey of 2-methylideneindol-1-ium?
The InChIKey is DQNVJWKDCCSMLW-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H7N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H2/p+1.
What are the key properties of 2-methylideneindol-1-ium?
2-methylideneindol-1-ium has a molecular weight of 130.17 g/mol, XLogP of -1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylideneindol-1-ium is sourced from PubChem (CID 59596733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).