6-methoxy-3-methyl-1H-indole-2-carbaldehyde

C11H11NO2 — CID 23022136

IUPAC6-methoxy-3-methyl-1H-indole-2-carbaldehyde
SMILESCOc1ccc2c(C)c(C=O)[nH]c2c1
InChIInChI=1S/C11H11NO2/c1-7-9-4-3-8(14-2)5-10(9)12-11(7)6-13/h3-6,12H,1-2H3
InChIKeyKSTSOHMXEVUIAR-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.30
Rot. Bonds2

About 6-methoxy-3-methyl-1H-indole-2-carbaldehyde

6-methoxy-3-methyl-1H-indole-2-carbaldehyde (PubChem CID 23022136) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 6-methoxy-3-methyl-1H-indole-2-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-3-methyl-1H-indole-2-carbaldehyde
PubChem CID23022136
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name6-methoxy-3-methyl-1H-indole-2-carbaldehyde
SMILESCOc1ccc2c(C)c(C=O)[nH]c2c1
InChIInChI=1S/C11H11NO2/c1-7-9-4-3-8(14-2)5-10(9)12-11(7)6-13/h3-6,12H,1-2H3
InChIKeyKSTSOHMXEVUIAR-UHFFFAOYSA-N
XLogP2.30
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-methoxy-3-methyl-1H-indole-2-carbaldehyde 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

6-methoxy-1H-indole-2,3-dicarbaldehyde
CID 89262984
6-amino-3-methyl-1H-indole-2-carbaldehyde
CID 96630486
2,7-dimethoxy-9H-carbazole-3-carbaldehyde
CID 5317755
5-fluoro-6-methoxy-3-methyl-1H-indole-2-carbaldehyde
CID 105459946
6-methoxy-2-(3-methoxyphenyl)-3-methyl-1H-indole
CID 13408302
4-(6-methoxy-3-methyl-1H-indole-2-carbonyl)piperazine-1-carbaldehyde
CID 113205397
7-methoxy-1H-quinazoline-2,4-dione
CID 19604241
ethyl 2-(6-methoxy-3-methyl-1H-indol-2-yl)-2-oxoacetate
CID 115072762
7-methoxy-2-oxo-1H-quinoline-5-carbaldehyde
CID 88867586
(6-methoxy-2-methyl-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 59430942
7-methoxy-1,2-dimethyl-9H-carbazol-3-ol
CID 15182253
7-methoxy-1H-3,1-benzoxazine-2,4-dione
CID 14381997

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methyl-1H-indole-2-carbaldehyde?
The IUPAC name of 6-methoxy-3-methyl-1H-indole-2-carbaldehyde (CID 23022136) is 6-methoxy-3-methyl-1H-indole-2-carbaldehyde.
What is the SMILES notation for 6-methoxy-3-methyl-1H-indole-2-carbaldehyde?
The canonical SMILES for 6-methoxy-3-methyl-1H-indole-2-carbaldehyde is COc1ccc2c(C)c(C=O)[nH]c2c1.
What is the InChIKey of 6-methoxy-3-methyl-1H-indole-2-carbaldehyde?
The InChIKey is KSTSOHMXEVUIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7-9-4-3-8(14-2)5-10(9)12-11(7)6-13/h3-6,12H,1-2H3.
What are the key properties of 6-methoxy-3-methyl-1H-indole-2-carbaldehyde?
6-methoxy-3-methyl-1H-indole-2-carbaldehyde has a molecular weight of 189.21 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-1H-indole-2-carbaldehyde is sourced from PubChem (CID 23022136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).