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

C11H11NO2 — CID 82404708

IUPAC5-methoxy-6-methyl-1H-indole-2-carbaldehyde
SMILESCOc1cc2cc(C=O)[nH]c2cc1C
InChIInChI=1S/C11H11NO2/c1-7-3-10-8(5-11(7)14-2)4-9(6-13)12-10/h3-6,12H,1-2H3
InChIKeyYBAMRXSWWQHJAZ-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.30
Rot. Bonds2

About 5-methoxy-6-methyl-1H-indole-2-carbaldehyde

5-methoxy-6-methyl-1H-indole-2-carbaldehyde (PubChem CID 82404708) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 5-methoxy-6-methyl-1H-indole-2-carbaldehyde.

Molecular Properties

Compound Name5-methoxy-6-methyl-1H-indole-2-carbaldehyde
PubChem CID82404708
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name5-methoxy-6-methyl-1H-indole-2-carbaldehyde
SMILESCOc1cc2cc(C=O)[nH]c2cc1C
InChIInChI=1S/C11H11NO2/c1-7-3-10-8(5-11(7)14-2)4-9(6-13)12-10/h3-6,12H,1-2H3
InChIKeyYBAMRXSWWQHJAZ-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': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-6-methoxy-5-methyl-1H-indole
CID 130063718
5,6-dimethoxy-2-methyl-1H-indole;ethane
CID 171088058
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
5-[2-(1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)ethoxy]-6-methoxy-1H-indole-2-carbaldehyde;prop-1-yne
CID 144806909
6-methylsulfanyl-1H-indole-2-carbaldehyde
CID 83915523
3-methoxy-6H-furo[2,3-b]pyrrole-5-carbaldehyde
CID 96633557
4,6-dimethoxy-1H-indole-2,7-dicarbaldehyde
CID 132915513
6-hydroxy-1H-indole-2-carbaldehyde
CID 82415497
5-methoxy-2,3,6-trimethyl-1H-indole
CID 70181288
5-fluoro-6-methoxy-2-methyl-1H-indole;methyl formate
CID 144996572
5-(4-methoxy-3-methylbenzoyl)-1H-pyrrole-2-carbaldehyde
CID 82386506
5-hydroxy-7-methyl-1H-indole-2-carbaldehyde
CID 105435999

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-methyl-1H-indole-2-carbaldehyde?
The IUPAC name of 5-methoxy-6-methyl-1H-indole-2-carbaldehyde (CID 82404708) is 5-methoxy-6-methyl-1H-indole-2-carbaldehyde.
What is the SMILES notation for 5-methoxy-6-methyl-1H-indole-2-carbaldehyde?
The canonical SMILES for 5-methoxy-6-methyl-1H-indole-2-carbaldehyde is COc1cc2cc(C=O)[nH]c2cc1C.
What is the InChIKey of 5-methoxy-6-methyl-1H-indole-2-carbaldehyde?
The InChIKey is YBAMRXSWWQHJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7-3-10-8(5-11(7)14-2)4-9(6-13)12-10/h3-6,12H,1-2H3.
What are the key properties of 5-methoxy-6-methyl-1H-indole-2-carbaldehyde?
5-methoxy-6-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 5-methoxy-6-methyl-1H-indole-2-carbaldehyde is sourced from PubChem (CID 82404708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).