7-hydroxy-4-methyl-1H-indole-3-carbaldehyde

C10H9NO2 — CID 105435994

IUPAC7-hydroxy-4-methyl-1H-indole-3-carbaldehyde
SMILESCc1ccc(O)c2[nH]cc(C=O)c12
InChIInChI=1S/C10H9NO2/c1-6-2-3-8(13)10-9(6)7(5-12)4-11-10/h2-5,11,13H,1H3
InChIKeyGBZRAFRHHGOKTQ-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.99
Rot. Bonds1

About 7-hydroxy-4-methyl-1H-indole-3-carbaldehyde

7-hydroxy-4-methyl-1H-indole-3-carbaldehyde (PubChem CID 105435994) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 7-hydroxy-4-methyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name7-hydroxy-4-methyl-1H-indole-3-carbaldehyde
PubChem CID105435994
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name7-hydroxy-4-methyl-1H-indole-3-carbaldehyde
SMILESCc1ccc(O)c2[nH]cc(C=O)c12
InChIInChI=1S/C10H9NO2/c1-6-2-3-8(13)10-9(6)7(5-12)4-11-10/h2-5,11,13H,1H3
InChIKeyGBZRAFRHHGOKTQ-UHFFFAOYSA-N
XLogP1.99
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.99
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-3,4-dimethyl-1H-indole-2-carbaldehyde
CID 105443504
tert-butyl N-(3-formyl-4-methyl-1H-indol-7-yl)carbamate
CID 18752863
7-hydroxy-2,4-dimethyl-1H-indole-3-carbaldehyde
CID 105443493
4-amino-3-methyl-1H-indol-7-ol
CID 82415317
4-bromo-5-hydroxy-1H-indole-3-carbaldehyde
CID 84701719
4-hydroxy-5-methylnaphthalene-1-carbaldehyde
CID 14986452
7-hydroxy-2,4-dimethyl-1H-indole-3-carboxylic acid
CID 105457119
6-bromo-7-hydroxy-1H-indole-3-carbaldehyde
CID 123695030
3-[(3-formyl-4-methyl-1H-indol-7-yl)amino]sulfanylbenzonitrile
CID 139366368
7-hydroxy-1H-benzimidazole-4-carbaldehyde
CID 87374282
5,8-dimethylnaphthalene-2,3-dicarbaldehyde
CID 12579975
5-bromo-7-methyl-1H-indole-3-carbaldehyde
CID 21102199

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-methyl-1H-indole-3-carbaldehyde?
The IUPAC name of 7-hydroxy-4-methyl-1H-indole-3-carbaldehyde (CID 105435994) is 7-hydroxy-4-methyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 7-hydroxy-4-methyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 7-hydroxy-4-methyl-1H-indole-3-carbaldehyde is Cc1ccc(O)c2[nH]cc(C=O)c12.
What is the InChIKey of 7-hydroxy-4-methyl-1H-indole-3-carbaldehyde?
The InChIKey is GBZRAFRHHGOKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-6-2-3-8(13)10-9(6)7(5-12)4-11-10/h2-5,11,13H,1H3.
What are the key properties of 7-hydroxy-4-methyl-1H-indole-3-carbaldehyde?
7-hydroxy-4-methyl-1H-indole-3-carbaldehyde has a molecular weight of 175.19 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-methyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 105435994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).