methoxy-(7-methyl-1H-indol-5-yl)-oxoazanium

C10H11N2O2+ — CID 89248896

IUPACmethoxy-(7-methyl-1H-indol-5-yl)-oxoazanium
SMILESCO[N+](=O)c1cc(C)c2[nH]ccc2c1
InChIInChI=1S/C10H11N2O2/c1-7-5-9(12(13)14-2)6-8-3-4-11-10(7)8/h3-6,11H,1-2H3/q+1
InChIKeyLGHLAVGEUUZACU-UHFFFAOYSA-N
MW191.21 g/mol
LogP2.45
Rot. Bonds2

About methoxy-(7-methyl-1H-indol-5-yl)-oxoazanium

methoxy-(7-methyl-1H-indol-5-yl)-oxoazanium (PubChem CID 89248896) has the molecular formula C10H11N2O2+ and a molecular weight of 191.21 g/mol. Its IUPAC name is methoxy-(7-methyl-1H-indol-5-yl)-oxoazanium.

Molecular Properties

Compound Namemethoxy-(7-methyl-1H-indol-5-yl)-oxoazanium
PubChem CID89248896
Molecular FormulaC10H11N2O2+
Molecular Weight191.21 g/mol
Exact Mass191.08
IUPAC Namemethoxy-(7-methyl-1H-indol-5-yl)-oxoazanium
SMILESCO[N+](=O)c1cc(C)c2[nH]ccc2c1
InChIInChI=1S/C10H11N2O2/c1-7-5-9(12(13)14-2)6-8-3-4-11-10(7)8/h3-6,11H,1-2H3/q+1
InChIKeyLGHLAVGEUUZACU-UHFFFAOYSA-N
XLogP2.45
TPSA45.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methoxy-(7-methyl-1H-indol-5-yl)-oxoazanium with MolForge

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

Launch Full Analysis

Related Compounds

Indole
CID 798
Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Alpha-Ethyltryptamine
CID 8367
N,N-Diethyltryptamine
CID 6090
1H-Indol-3-Ylmethanamine
CID 472107
Tryptamine hydrochloride
CID 67652
5-Methyltryptamine
CID 15760

Frequently Asked Questions

What is the IUPAC name of methoxy-(7-methyl-1H-indol-5-yl)-oxoazanium?
The IUPAC name of methoxy-(7-methyl-1H-indol-5-yl)-oxoazanium (CID 89248896) is methoxy-(7-methyl-1H-indol-5-yl)-oxoazanium.
What is the SMILES notation for methoxy-(7-methyl-1H-indol-5-yl)-oxoazanium?
The canonical SMILES for methoxy-(7-methyl-1H-indol-5-yl)-oxoazanium is CO[N+](=O)c1cc(C)c2[nH]ccc2c1.
What is the InChIKey of methoxy-(7-methyl-1H-indol-5-yl)-oxoazanium?
The InChIKey is LGHLAVGEUUZACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N2O2/c1-7-5-9(12(13)14-2)6-8-3-4-11-10(7)8/h3-6,11H,1-2H3/q+1.
What are the key properties of methoxy-(7-methyl-1H-indol-5-yl)-oxoazanium?
methoxy-(7-methyl-1H-indol-5-yl)-oxoazanium has a molecular weight of 191.21 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(7-methyl-1H-indol-5-yl)-oxoazanium is sourced from PubChem (CID 89248896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).