5-methoxy-1-methylindole-3-carbaldehyde

C11H11NO2 — CID 925973

IUPAC5-methoxy-1-methylindole-3-carbaldehyde
SMILESCOc1ccc2c(c1)c(C=O)cn2C
InChIInChI=1S/C11H11NO2/c1-12-6-8(7-13)10-5-9(14-2)3-4-11(10)12/h3-7H,1-2H3
InChIKeyOFNAEHQJIMREFJ-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.00
Rot. Bonds2

About 5-methoxy-1-methylindole-3-carbaldehyde

5-methoxy-1-methylindole-3-carbaldehyde (PubChem CID 925973) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 5-methoxy-1-methylindole-3-carbaldehyde.

Molecular Properties

Compound Name5-methoxy-1-methylindole-3-carbaldehyde
PubChem CID925973
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name5-methoxy-1-methylindole-3-carbaldehyde
SMILESCOc1ccc2c(c1)c(C=O)cn2C
InChIInChI=1S/C11H11NO2/c1-12-6-8(7-13)10-5-9(14-2)3-4-11(10)12/h3-7H,1-2H3
InChIKeyOFNAEHQJIMREFJ-UHFFFAOYSA-N
XLogP2.00
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 56841530
Jwh 081
CID 10547208
Jwh 250
CID 44397540
Mecarbinate
CID 616236
Jwh 302
CID 11493740
2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397641
Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
CID 211017
SR-18
CID 53394099
Methanone, (2-methoxy-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)-
CID 11268746
Methyl 5-Hydroxy-1H-Indole-3-Carboxylate
CID 14144546
5-Methoxyindole-3-carbaldehyde
CID 82758
5-(phenylmethoxy)-1H-indole-3-carbaldehyde
CID 81398

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methylindole-3-carbaldehyde?
The IUPAC name of 5-methoxy-1-methylindole-3-carbaldehyde (CID 925973) is 5-methoxy-1-methylindole-3-carbaldehyde.
What is the SMILES notation for 5-methoxy-1-methylindole-3-carbaldehyde?
The canonical SMILES for 5-methoxy-1-methylindole-3-carbaldehyde is COc1ccc2c(c1)c(C=O)cn2C.
What is the InChIKey of 5-methoxy-1-methylindole-3-carbaldehyde?
The InChIKey is OFNAEHQJIMREFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-12-6-8(7-13)10-5-9(14-2)3-4-11(10)12/h3-7H,1-2H3.
What are the key properties of 5-methoxy-1-methylindole-3-carbaldehyde?
5-methoxy-1-methylindole-3-carbaldehyde has a molecular weight of 189.21 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methylindole-3-carbaldehyde is sourced from PubChem (CID 925973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).