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

C10H9NO — CID 71310970

IUPAC2-methyl-1H-indole-7-carbaldehyde
SMILESCc1cc2cccc(C=O)c2[nH]1
InChIInChI=1S/C10H9NO/c1-7-5-8-3-2-4-9(6-12)10(8)11-7/h2-6,11H,1H3
InChIKeyKMTJSJFOHDJFCF-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.29
Rot. Bonds1

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

2-methyl-1H-indole-7-carbaldehyde (PubChem CID 71310970) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-methyl-1H-indole-7-carbaldehyde.

Molecular Properties

Compound Name2-methyl-1H-indole-7-carbaldehyde
PubChem CID71310970
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name2-methyl-1H-indole-7-carbaldehyde
SMILESCc1cc2cccc(C=O)c2[nH]1
InChIInChI=1S/C10H9NO/c1-7-5-8-3-2-4-9(6-12)10(8)11-7/h2-6,11H,1H3
InChIKeyKMTJSJFOHDJFCF-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 2-methyl-1H-indole-7-carbaldehyde?
The IUPAC name of 2-methyl-1H-indole-7-carbaldehyde (CID 71310970) is 2-methyl-1H-indole-7-carbaldehyde.
What is the SMILES notation for 2-methyl-1H-indole-7-carbaldehyde?
The canonical SMILES for 2-methyl-1H-indole-7-carbaldehyde is Cc1cc2cccc(C=O)c2[nH]1.
What is the InChIKey of 2-methyl-1H-indole-7-carbaldehyde?
The InChIKey is KMTJSJFOHDJFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-7-5-8-3-2-4-9(6-12)10(8)11-7/h2-6,11H,1H3.
What are the key properties of 2-methyl-1H-indole-7-carbaldehyde?
2-methyl-1H-indole-7-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 2-methyl-1H-indole-7-carbaldehyde is sourced from PubChem (CID 71310970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).