1,5-dimethylindole-3-carbaldehyde

C11H11NO — CID 1419073

IUPAC1,5-dimethylindole-3-carbaldehyde
SMILESCc1ccc2c(c1)c(C=O)cn2C
InChIInChI=1S/C11H11NO/c1-8-3-4-11-10(5-8)9(7-13)6-12(11)2/h3-7H,1-2H3
InChIKeyBDHIBJIGOOTZMS-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.30
Rot. Bonds1

About 1,5-dimethylindole-3-carbaldehyde

1,5-dimethylindole-3-carbaldehyde (PubChem CID 1419073) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 1,5-dimethylindole-3-carbaldehyde.

Molecular Properties

Compound Name1,5-dimethylindole-3-carbaldehyde
PubChem CID1419073
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name1,5-dimethylindole-3-carbaldehyde
SMILESCc1ccc2c(c1)c(C=O)cn2C
InChIInChI=1S/C11H11NO/c1-8-3-4-11-10(5-8)9(7-13)6-12(11)2/h3-7H,1-2H3
InChIKeyBDHIBJIGOOTZMS-UHFFFAOYSA-N
XLogP2.30
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,5-dimethylindole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylindole-3-carbaldehyde?
The IUPAC name of 1,5-dimethylindole-3-carbaldehyde (CID 1419073) is 1,5-dimethylindole-3-carbaldehyde.
What is the SMILES notation for 1,5-dimethylindole-3-carbaldehyde?
The canonical SMILES for 1,5-dimethylindole-3-carbaldehyde is Cc1ccc2c(c1)c(C=O)cn2C.
What is the InChIKey of 1,5-dimethylindole-3-carbaldehyde?
The InChIKey is BDHIBJIGOOTZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-8-3-4-11-10(5-8)9(7-13)6-12(11)2/h3-7H,1-2H3.
What are the key properties of 1,5-dimethylindole-3-carbaldehyde?
1,5-dimethylindole-3-carbaldehyde has a molecular weight of 173.21 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylindole-3-carbaldehyde is sourced from PubChem (CID 1419073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).