2-(7-methoxy-2-methyl-1H-indol-3-yl)acetaldehyde

C12H13NO2 — CID 112710911

IUPAC2-(7-methoxy-2-methyl-1H-indol-3-yl)acetaldehyde
SMILESCOc1cccc2c(CC=O)c(C)[nH]c12
InChIInChI=1S/C12H13NO2/c1-8-9(6-7-14)10-4-3-5-11(15-2)12(10)13-8/h3-5,7,13H,6H2,1-2H3
InChIKeyRMNKATAKNWIWQZ-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.23
Rot. Bonds3

About 2-(7-methoxy-2-methyl-1H-indol-3-yl)acetaldehyde

2-(7-methoxy-2-methyl-1H-indol-3-yl)acetaldehyde (PubChem CID 112710911) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(7-methoxy-2-methyl-1H-indol-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(7-methoxy-2-methyl-1H-indol-3-yl)acetaldehyde
PubChem CID112710911
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-(7-methoxy-2-methyl-1H-indol-3-yl)acetaldehyde
SMILESCOc1cccc2c(CC=O)c(C)[nH]c12
InChIInChI=1S/C12H13NO2/c1-8-9(6-7-14)10-4-3-5-11(15-2)12(10)13-8/h3-5,7,13H,6H2,1-2H3
InChIKeyRMNKATAKNWIWQZ-UHFFFAOYSA-N
XLogP2.23
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.23
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'}

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Related Compounds

N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]ethanamine
CID 65335513
N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335563
7-methoxy-2-methyl-1H-indole-3-carboxylic acid
CID 65335303
2-(ethylamino)-1-(7-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 96675267
2-(3-methoxy-2-methylphenyl)acetaldehyde
CID 144630578
7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
CID 110852178
3-ethyl-2-methyl-7-[(2-methylphenyl)methoxy]-1H-indole
CID 142101066
8-methoxy-3-methyl-2-phenyl-1H-quinolin-4-one
CID 104845886
2-[7-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]acetic acid
CID 84641801
propanal;1,2,3-trimethoxybenzene
CID 174975216
1-(7-methoxy-2-methyl-1H-indol-3-yl)-N-methylethanamine
CID 65333048
3-ethyl-2-methyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one
CID 60999160

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-2-methyl-1H-indol-3-yl)acetaldehyde?
The IUPAC name of 2-(7-methoxy-2-methyl-1H-indol-3-yl)acetaldehyde (CID 112710911) is 2-(7-methoxy-2-methyl-1H-indol-3-yl)acetaldehyde.
What is the SMILES notation for 2-(7-methoxy-2-methyl-1H-indol-3-yl)acetaldehyde?
The canonical SMILES for 2-(7-methoxy-2-methyl-1H-indol-3-yl)acetaldehyde is COc1cccc2c(CC=O)c(C)[nH]c12.
What is the InChIKey of 2-(7-methoxy-2-methyl-1H-indol-3-yl)acetaldehyde?
The InChIKey is RMNKATAKNWIWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-9(6-7-14)10-4-3-5-11(15-2)12(10)13-8/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 2-(7-methoxy-2-methyl-1H-indol-3-yl)acetaldehyde?
2-(7-methoxy-2-methyl-1H-indol-3-yl)acetaldehyde has a molecular weight of 203.24 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-2-methyl-1H-indol-3-yl)acetaldehyde is sourced from PubChem (CID 112710911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).