4-methoxy-1H-indole-2-carbaldehyde

C10H9NO2 — CID 10678838

IUPAC4-methoxy-1H-indole-2-carbaldehyde
SMILESCOc1cccc2[nH]c(C=O)cc12
InChIInChI=1S/C10H9NO2/c1-13-10-4-2-3-9-8(10)5-7(6-12)11-9/h2-6,11H,1H3
InChIKeyBMUMJEKBMVREKT-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.99
Rot. Bonds2

About 4-methoxy-1H-indole-2-carbaldehyde

4-methoxy-1H-indole-2-carbaldehyde (PubChem CID 10678838) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-methoxy-1H-indole-2-carbaldehyde.

Molecular Properties

Compound Name4-methoxy-1H-indole-2-carbaldehyde
PubChem CID10678838
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name4-methoxy-1H-indole-2-carbaldehyde
SMILESCOc1cccc2[nH]c(C=O)cc12
InChIInChI=1S/C10H9NO2/c1-13-10-4-2-3-9-8(10)5-7(6-12)11-9/h2-6,11H,1H3
InChIKeyBMUMJEKBMVREKT-UHFFFAOYSA-N
XLogP1.99
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-Methoxyindole-2-carboxylic acid
CID 20401
Koeniginequinone B
CID 11184822
Koeniginequinone A
CID 11264975
9-methoxy-5H-pyrimido[5,4-b]indol-4-ol
CID 135448689
Ethyl 5-methoxyindole-2-carboxylate
CID 20926
4,7-Dimethoxy-1H-indole-2-carboxylic acid
CID 510118
6-methoxy-9H-carbazole-3-carbaldehyde
CID 5278452
1-Methylethyl 4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1H-indole-2-carboxylate
CID 193949
6-methoxy-1H-indole-2-carboxylic acid
CID 410327
4-(benzyloxy)-1H-indole-2-carboxylic acid
CID 2735497
Clausine L
CID 24898872
D-64131
CID 3921152

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1H-indole-2-carbaldehyde?
The IUPAC name of 4-methoxy-1H-indole-2-carbaldehyde (CID 10678838) is 4-methoxy-1H-indole-2-carbaldehyde.
What is the SMILES notation for 4-methoxy-1H-indole-2-carbaldehyde?
The canonical SMILES for 4-methoxy-1H-indole-2-carbaldehyde is COc1cccc2[nH]c(C=O)cc12.
What is the InChIKey of 4-methoxy-1H-indole-2-carbaldehyde?
The InChIKey is BMUMJEKBMVREKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-13-10-4-2-3-9-8(10)5-7(6-12)11-9/h2-6,11H,1H3.
What are the key properties of 4-methoxy-1H-indole-2-carbaldehyde?
4-methoxy-1H-indole-2-carbaldehyde has a molecular weight of 175.19 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1H-indole-2-carbaldehyde is sourced from PubChem (CID 10678838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).