6-methoxy-1H-indole-2,3-dicarbaldehyde

C11H9NO3 — CID 89262984

IUPAC6-methoxy-1H-indole-2,3-dicarbaldehyde
SMILESCOc1ccc2c(C=O)c(C=O)[nH]c2c1
InChIInChI=1S/C11H9NO3/c1-15-7-2-3-8-9(5-13)11(6-14)12-10(8)4-7/h2-6,12H,1H3
InChIKeyNXHAOLFZIMWIRZ-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.80
Rot. Bonds3

About 6-methoxy-1H-indole-2,3-dicarbaldehyde

6-methoxy-1H-indole-2,3-dicarbaldehyde (PubChem CID 89262984) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 6-methoxy-1H-indole-2,3-dicarbaldehyde.

Molecular Properties

Compound Name6-methoxy-1H-indole-2,3-dicarbaldehyde
PubChem CID89262984
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name6-methoxy-1H-indole-2,3-dicarbaldehyde
SMILESCOc1ccc2c(C=O)c(C=O)[nH]c2c1
InChIInChI=1S/C11H9NO3/c1-15-7-2-3-8-9(5-13)11(6-14)12-10(8)4-7/h2-6,12H,1H3
InChIKeyNXHAOLFZIMWIRZ-UHFFFAOYSA-N
XLogP1.80
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-3-methyl-1H-indole-2-carbaldehyde
CID 23022136
2,7-dimethoxy-9H-carbazole-3-carbaldehyde
CID 5317755
7-methoxy-1H-quinazoline-2,4-dione
CID 19604241
2-(hydroxymethyl)-5-methoxy-1H-indole-3-carbaldehyde
CID 118108331
3-formyl-5-methoxy-1H-indole-2-carbonitrile
CID 71385404
7-methoxy-2-oxo-1H-quinoline-5-carbaldehyde
CID 88867586
7-methoxy-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one
CID 22462438
3-methoxy-5H-phenanthridin-6-one
CID 12706603
7-methoxy-1H-3,1-benzoxazine-2,4-dione
CID 14381997
2,6-dimethoxynaphthalene-1-carbaldehyde
CID 12583354
8-methoxy-10H-furo[3,2-a]carbazole-4-carbaldehyde
CID 11149760
5-methoxy-2-(2-methylpropyl)-1H-indole-3-carbaldehyde
CID 84694640

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1H-indole-2,3-dicarbaldehyde?
The IUPAC name of 6-methoxy-1H-indole-2,3-dicarbaldehyde (CID 89262984) is 6-methoxy-1H-indole-2,3-dicarbaldehyde.
What is the SMILES notation for 6-methoxy-1H-indole-2,3-dicarbaldehyde?
The canonical SMILES for 6-methoxy-1H-indole-2,3-dicarbaldehyde is COc1ccc2c(C=O)c(C=O)[nH]c2c1.
What is the InChIKey of 6-methoxy-1H-indole-2,3-dicarbaldehyde?
The InChIKey is NXHAOLFZIMWIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-15-7-2-3-8-9(5-13)11(6-14)12-10(8)4-7/h2-6,12H,1H3.
What are the key properties of 6-methoxy-1H-indole-2,3-dicarbaldehyde?
6-methoxy-1H-indole-2,3-dicarbaldehyde has a molecular weight of 203.20 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1H-indole-2,3-dicarbaldehyde is sourced from PubChem (CID 89262984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).