2-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)acetaldehyde

C11H14N2O2 — CID 87513526

IUPAC2-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)acetaldehyde
SMILESCOc1cc2c(cc1N)N(CC=O)CC2
InChIInChI=1S/C11H14N2O2/c1-15-11-6-8-2-3-13(4-5-14)10(8)7-9(11)12/h5-7H,2-4,12H2,1H3
InChIKeyMQHLUMABRXXLFS-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.84
Rot. Bonds3

About 2-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)acetaldehyde

2-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)acetaldehyde (PubChem CID 87513526) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)acetaldehyde
PubChem CID87513526
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)acetaldehyde
SMILESCOc1cc2c(cc1N)N(CC=O)CC2
InChIInChI=1S/C11H14N2O2/c1-15-11-6-8-2-3-13(4-5-14)10(8)7-9(11)12/h5-7H,2-4,12H2,1H3
InChIKeyMQHLUMABRXXLFS-UHFFFAOYSA-N
XLogP0.84
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)acetaldehyde 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-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)acetaldehyde?
The IUPAC name of 2-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)acetaldehyde (CID 87513526) is 2-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)acetaldehyde?
The canonical SMILES for 2-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)acetaldehyde is COc1cc2c(cc1N)N(CC=O)CC2.
What is the InChIKey of 2-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)acetaldehyde?
The InChIKey is MQHLUMABRXXLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-15-11-6-8-2-3-13(4-5-14)10(8)7-9(11)12/h5-7H,2-4,12H2,1H3.
What are the key properties of 2-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)acetaldehyde?
2-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)acetaldehyde has a molecular weight of 206.25 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)acetaldehyde is sourced from PubChem (CID 87513526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).