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

C10H9NO — CID 2762437

IUPAC4-methyl-1H-indole-3-carbaldehyde
SMILESCc1cccc2[nH]cc(C=O)c12
InChIInChI=1S/C10H9NO/c1-7-3-2-4-9-10(7)8(6-12)5-11-9/h2-6,11H,1H3
InChIKeyOXMKZTMGJSTKPG-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.29
Rot. Bonds1

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

4-methyl-1H-indole-3-carbaldehyde (PubChem CID 2762437) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 4-methyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name4-methyl-1H-indole-3-carbaldehyde
PubChem CID2762437
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name4-methyl-1H-indole-3-carbaldehyde
SMILESCc1cccc2[nH]cc(C=O)c12
InChIInChI=1S/C10H9NO/c1-7-3-2-4-9-10(7)8(6-12)5-11-9/h2-6,11H,1H3
InChIKeyOXMKZTMGJSTKPG-UHFFFAOYSA-N
XLogP2.29
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1H-indole-3-carbaldehyde?
The IUPAC name of 4-methyl-1H-indole-3-carbaldehyde (CID 2762437) is 4-methyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 4-methyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 4-methyl-1H-indole-3-carbaldehyde is Cc1cccc2[nH]cc(C=O)c12.
What is the InChIKey of 4-methyl-1H-indole-3-carbaldehyde?
The InChIKey is OXMKZTMGJSTKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-7-3-2-4-9-10(7)8(6-12)5-11-9/h2-6,11H,1H3.
What are the key properties of 4-methyl-1H-indole-3-carbaldehyde?
4-methyl-1H-indole-3-carbaldehyde has a molecular weight of 159.19 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 2762437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).