1-acetyl-2-oxo-3H-indole-6-carbaldehyde

C11H9NO3 — CID 126542677

IUPAC1-acetyl-2-oxo-3H-indole-6-carbaldehyde
SMILESCC(=O)N1C(=O)Cc2ccc(C=O)cc21
InChIInChI=1S/C11H9NO3/c1-7(14)12-10-4-8(6-13)2-3-9(10)5-11(12)15/h2-4,6H,5H2,1H3
InChIKeyDPLHWLXVXGAYGW-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.93
Rot. Bonds1

About 1-acetyl-2-oxo-3H-indole-6-carbaldehyde

1-acetyl-2-oxo-3H-indole-6-carbaldehyde (PubChem CID 126542677) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 1-acetyl-2-oxo-3H-indole-6-carbaldehyde.

Molecular Properties

Compound Name1-acetyl-2-oxo-3H-indole-6-carbaldehyde
PubChem CID126542677
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name1-acetyl-2-oxo-3H-indole-6-carbaldehyde
SMILESCC(=O)N1C(=O)Cc2ccc(C=O)cc21
InChIInChI=1S/C11H9NO3/c1-7(14)12-10-4-8(6-13)2-3-9(10)5-11(12)15/h2-4,6H,5H2,1H3
InChIKeyDPLHWLXVXGAYGW-UHFFFAOYSA-N
XLogP0.93
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-acetyl-2-oxo-3H-indole-6-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-acetyl-2-oxo-3H-indole-6-carbaldehyde?
The IUPAC name of 1-acetyl-2-oxo-3H-indole-6-carbaldehyde (CID 126542677) is 1-acetyl-2-oxo-3H-indole-6-carbaldehyde.
What is the SMILES notation for 1-acetyl-2-oxo-3H-indole-6-carbaldehyde?
The canonical SMILES for 1-acetyl-2-oxo-3H-indole-6-carbaldehyde is CC(=O)N1C(=O)Cc2ccc(C=O)cc21.
What is the InChIKey of 1-acetyl-2-oxo-3H-indole-6-carbaldehyde?
The InChIKey is DPLHWLXVXGAYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-7(14)12-10-4-8(6-13)2-3-9(10)5-11(12)15/h2-4,6H,5H2,1H3.
What are the key properties of 1-acetyl-2-oxo-3H-indole-6-carbaldehyde?
1-acetyl-2-oxo-3H-indole-6-carbaldehyde has a molecular weight of 203.20 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-oxo-3H-indole-6-carbaldehyde is sourced from PubChem (CID 126542677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).