7-hydroxy-3,4-dimethyl-1H-indole-2-carbaldehyde

C11H11NO2 — CID 105443504

IUPAC7-hydroxy-3,4-dimethyl-1H-indole-2-carbaldehyde
SMILESCc1ccc(O)c2[nH]c(C=O)c(C)c12
InChIInChI=1S/C11H11NO2/c1-6-3-4-9(14)11-10(6)7(2)8(5-13)12-11/h3-5,12,14H,1-2H3
InChIKeyNBZXKMOPYQXLJQ-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.30
Rot. Bonds1

About 7-hydroxy-3,4-dimethyl-1H-indole-2-carbaldehyde

7-hydroxy-3,4-dimethyl-1H-indole-2-carbaldehyde (PubChem CID 105443504) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 7-hydroxy-3,4-dimethyl-1H-indole-2-carbaldehyde.

Molecular Properties

Compound Name7-hydroxy-3,4-dimethyl-1H-indole-2-carbaldehyde
PubChem CID105443504
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name7-hydroxy-3,4-dimethyl-1H-indole-2-carbaldehyde
SMILESCc1ccc(O)c2[nH]c(C=O)c(C)c12
InChIInChI=1S/C11H11NO2/c1-6-3-4-9(14)11-10(6)7(2)8(5-13)12-11/h3-5,12,14H,1-2H3
InChIKeyNBZXKMOPYQXLJQ-UHFFFAOYSA-N
XLogP2.30
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-2,4-dimethyl-1H-indole-3-carbaldehyde
CID 105443493
7-methoxy-3,4-dimethyl-1H-indole-2-carbaldehyde
CID 82373470
7-hydroxy-4-methyl-1H-indole-3-carbaldehyde
CID 105435994
7-hydroxy-2,4-dimethyl-1H-indole-3-carboxylic acid
CID 105457119
4-methoxy-3,7-dimethyl-1H-indole-2-carbaldehyde
CID 105455213
formic acid;2,3,4-trimethylphenol
CID 67747401
2-bromo-3,4,7-trimethyl-1H-indole
CID 84629053
3-chloro-7-methoxy-4-methyl-1H-indole-2-carbaldehyde
CID 82391920
3,4,7-trimethyl-1H-indole-2-carboxylate
CID 7219762
4-hydroxy-5-methylnaphthalene-1-carbaldehyde
CID 14986452
2-(6-hydroxy-2,3-dimethylphenyl)acetaldehyde
CID 54204979
3,4-dimethyl-9H-carbazole-1,8-diol
CID 171715160

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3,4-dimethyl-1H-indole-2-carbaldehyde?
The IUPAC name of 7-hydroxy-3,4-dimethyl-1H-indole-2-carbaldehyde (CID 105443504) is 7-hydroxy-3,4-dimethyl-1H-indole-2-carbaldehyde.
What is the SMILES notation for 7-hydroxy-3,4-dimethyl-1H-indole-2-carbaldehyde?
The canonical SMILES for 7-hydroxy-3,4-dimethyl-1H-indole-2-carbaldehyde is Cc1ccc(O)c2[nH]c(C=O)c(C)c12.
What is the InChIKey of 7-hydroxy-3,4-dimethyl-1H-indole-2-carbaldehyde?
The InChIKey is NBZXKMOPYQXLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-6-3-4-9(14)11-10(6)7(2)8(5-13)12-11/h3-5,12,14H,1-2H3.
What are the key properties of 7-hydroxy-3,4-dimethyl-1H-indole-2-carbaldehyde?
7-hydroxy-3,4-dimethyl-1H-indole-2-carbaldehyde has a molecular weight of 189.21 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3,4-dimethyl-1H-indole-2-carbaldehyde is sourced from PubChem (CID 105443504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).