3-(2-methoxyethyl)-1H-indole-2-carbaldehyde

C12H13NO2 — CID 121011064

IUPAC3-(2-methoxyethyl)-1H-indole-2-carbaldehyde
SMILESCOCCc1c(C=O)[nH]c2ccccc12
InChIInChI=1S/C12H13NO2/c1-15-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14/h2-5,8,13H,6-7H2,1H3
InChIKeyURQRDMBFRHNZTR-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.17
Rot. Bonds4

About 3-(2-methoxyethyl)-1H-indole-2-carbaldehyde

3-(2-methoxyethyl)-1H-indole-2-carbaldehyde (PubChem CID 121011064) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1H-indole-2-carbaldehyde.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1H-indole-2-carbaldehyde
PubChem CID121011064
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-(2-methoxyethyl)-1H-indole-2-carbaldehyde
SMILESCOCCc1c(C=O)[nH]c2ccccc12
InChIInChI=1S/C12H13NO2/c1-15-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14/h2-5,8,13H,6-7H2,1H3
InChIKeyURQRDMBFRHNZTR-UHFFFAOYSA-N
XLogP2.17
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.17
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 3-(2-methoxyethyl)-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

3-butyl-4-oxo-1H-quinoline-2-carbaldehyde
CID 174731856
2-(3-methoxypropyl)-1H-indole-3-carbaldehyde
CID 87256999
ethyl 2-(2-formyl-1H-indol-3-yl)acetate
CID 82390658
3,4-bis(2-methoxyethoxy)-1H-quinolin-2-one
CID 141273048
3-(methoxymethyl)-1H-indole-2-carboxylic acid
CID 54375862
methanol;3-phenyl-1H-indole-2-carbaldehyde
CID 143036487
methyl 2-(2-bromo-1H-indol-3-yl)acetate
CID 27281283
2-methyl-3-propyl-1H-quinolin-4-one
CID 826058
3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1H-indole-2-carbaldehyde
CID 140542086
3-aminosulfanyl-1H-indole-2-carbaldehyde
CID 10465176
2-formyl-1H-indole-3-carbonitrile
CID 59277563
4-propyl-9H-carbazole-3-carbaldehyde
CID 143973310

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1H-indole-2-carbaldehyde?
The IUPAC name of 3-(2-methoxyethyl)-1H-indole-2-carbaldehyde (CID 121011064) is 3-(2-methoxyethyl)-1H-indole-2-carbaldehyde.
What is the SMILES notation for 3-(2-methoxyethyl)-1H-indole-2-carbaldehyde?
The canonical SMILES for 3-(2-methoxyethyl)-1H-indole-2-carbaldehyde is COCCc1c(C=O)[nH]c2ccccc12.
What is the InChIKey of 3-(2-methoxyethyl)-1H-indole-2-carbaldehyde?
The InChIKey is URQRDMBFRHNZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-15-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14/h2-5,8,13H,6-7H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-1H-indole-2-carbaldehyde?
3-(2-methoxyethyl)-1H-indole-2-carbaldehyde has a molecular weight of 203.24 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1H-indole-2-carbaldehyde is sourced from PubChem (CID 121011064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).