2,3-dihydroindole-1-carbaldehyde

C9H9NO — CID 576501

IUPAC2,3-dihydroindole-1-carbaldehyde
SMILESO=CN1CCc2ccccc21
InChIInChI=1S/C9H9NO/c11-7-10-6-5-8-3-1-2-4-9(8)10/h1-4,7H,5-6H2
InChIKeyDGCIPHNRGLERLO-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.21
Rot. Bonds1

About 2,3-dihydroindole-1-carbaldehyde

2,3-dihydroindole-1-carbaldehyde (PubChem CID 576501) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2,3-dihydroindole-1-carbaldehyde.

Molecular Properties

Compound Name2,3-dihydroindole-1-carbaldehyde
PubChem CID576501
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2,3-dihydroindole-1-carbaldehyde
SMILESO=CN1CCc2ccccc21
InChIInChI=1S/C9H9NO/c11-7-10-6-5-8-3-1-2-4-9(8)10/h1-4,7H,5-6H2
InChIKeyDGCIPHNRGLERLO-UHFFFAOYSA-N
XLogP1.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3-dihydroindole-1-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 2,3-dihydroindole-1-carbaldehyde?
The IUPAC name of 2,3-dihydroindole-1-carbaldehyde (CID 576501) is 2,3-dihydroindole-1-carbaldehyde.
What is the SMILES notation for 2,3-dihydroindole-1-carbaldehyde?
The canonical SMILES for 2,3-dihydroindole-1-carbaldehyde is O=CN1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindole-1-carbaldehyde?
The InChIKey is DGCIPHNRGLERLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c11-7-10-6-5-8-3-1-2-4-9(8)10/h1-4,7H,5-6H2.
What are the key properties of 2,3-dihydroindole-1-carbaldehyde?
2,3-dihydroindole-1-carbaldehyde has a molecular weight of 147.18 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindole-1-carbaldehyde is sourced from PubChem (CID 576501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).