1-methylindole-5-carbaldehyde

C10H9NO — CID 7537534

IUPAC1-methylindole-5-carbaldehyde
SMILESCn1ccc2cc(C=O)ccc21
InChIInChI=1S/C10H9NO/c1-11-5-4-9-6-8(7-12)2-3-10(9)11/h2-7H,1H3
InChIKeyXIVDZBIBWGQOTI-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.99
Rot. Bonds1

About 1-methylindole-5-carbaldehyde

1-methylindole-5-carbaldehyde (PubChem CID 7537534) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-methylindole-5-carbaldehyde.

Molecular Properties

Compound Name1-methylindole-5-carbaldehyde
PubChem CID7537534
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name1-methylindole-5-carbaldehyde
SMILESCn1ccc2cc(C=O)ccc21
InChIInChI=1S/C10H9NO/c1-11-5-4-9-6-8(7-12)2-3-10(9)11/h2-7H,1H3
InChIKeyXIVDZBIBWGQOTI-UHFFFAOYSA-N
XLogP1.99
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.99
H-Bond Donors ≤ 50
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 1-methylindole-5-carbaldehyde?
The IUPAC name of 1-methylindole-5-carbaldehyde (CID 7537534) is 1-methylindole-5-carbaldehyde.
What is the SMILES notation for 1-methylindole-5-carbaldehyde?
The canonical SMILES for 1-methylindole-5-carbaldehyde is Cn1ccc2cc(C=O)ccc21.
What is the InChIKey of 1-methylindole-5-carbaldehyde?
The InChIKey is XIVDZBIBWGQOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-11-5-4-9-6-8(7-12)2-3-10(9)11/h2-7H,1H3.
What are the key properties of 1-methylindole-5-carbaldehyde?
1-methylindole-5-carbaldehyde has a molecular weight of 159.19 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylindole-5-carbaldehyde is sourced from PubChem (CID 7537534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).