5-hydroxy-7-methyl-1H-indole-2-carbaldehyde

C10H9NO2 — CID 105435999

IUPAC5-hydroxy-7-methyl-1H-indole-2-carbaldehyde
SMILESCc1cc(O)cc2cc(C=O)[nH]c12
InChIInChI=1S/C10H9NO2/c1-6-2-9(13)4-7-3-8(5-12)11-10(6)7/h2-5,11,13H,1H3
InChIKeyBEQXCSZWSHRRDW-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.99
Rot. Bonds1

About 5-hydroxy-7-methyl-1H-indole-2-carbaldehyde

5-hydroxy-7-methyl-1H-indole-2-carbaldehyde (PubChem CID 105435999) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-hydroxy-7-methyl-1H-indole-2-carbaldehyde.

Molecular Properties

Compound Name5-hydroxy-7-methyl-1H-indole-2-carbaldehyde
PubChem CID105435999
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name5-hydroxy-7-methyl-1H-indole-2-carbaldehyde
SMILESCc1cc(O)cc2cc(C=O)[nH]c12
InChIInChI=1S/C10H9NO2/c1-6-2-9(13)4-7-3-8(5-12)11-10(6)7/h2-5,11,13H,1H3
InChIKeyBEQXCSZWSHRRDW-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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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-methyl-1H-indole-2-carbaldehyde?
The IUPAC name of 5-hydroxy-7-methyl-1H-indole-2-carbaldehyde (CID 105435999) is 5-hydroxy-7-methyl-1H-indole-2-carbaldehyde.
What is the SMILES notation for 5-hydroxy-7-methyl-1H-indole-2-carbaldehyde?
The canonical SMILES for 5-hydroxy-7-methyl-1H-indole-2-carbaldehyde is Cc1cc(O)cc2cc(C=O)[nH]c12.
What is the InChIKey of 5-hydroxy-7-methyl-1H-indole-2-carbaldehyde?
The InChIKey is BEQXCSZWSHRRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-6-2-9(13)4-7-3-8(5-12)11-10(6)7/h2-5,11,13H,1H3.
What are the key properties of 5-hydroxy-7-methyl-1H-indole-2-carbaldehyde?
5-hydroxy-7-methyl-1H-indole-2-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 5-hydroxy-7-methyl-1H-indole-2-carbaldehyde is sourced from PubChem (CID 105435999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).