3-(6-amino-5-methyl-2,3-dihydroindol-1-yl)propanamide

C12H17N3O — CID 83212549

IUPAC3-(6-amino-5-methyl-2,3-dihydroindol-1-yl)propanamide
SMILESCc1cc2c(cc1N)N(CCC(N)=O)CC2
InChIInChI=1S/C12H17N3O/c1-8-6-9-2-4-15(5-3-12(14)16)11(9)7-10(8)13/h6-7H,2-5,13H2,1H3,(H2,14,16)
InChIKeyDAVXEQDCTOSHMN-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.82
Rot. Bonds3

About 3-(6-amino-5-methyl-2,3-dihydroindol-1-yl)propanamide

3-(6-amino-5-methyl-2,3-dihydroindol-1-yl)propanamide (PubChem CID 83212549) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-(6-amino-5-methyl-2,3-dihydroindol-1-yl)propanamide.

Molecular Properties

Compound Name3-(6-amino-5-methyl-2,3-dihydroindol-1-yl)propanamide
PubChem CID83212549
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-(6-amino-5-methyl-2,3-dihydroindol-1-yl)propanamide
SMILESCc1cc2c(cc1N)N(CCC(N)=O)CC2
InChIInChI=1S/C12H17N3O/c1-8-6-9-2-4-15(5-3-12(14)16)11(9)7-10(8)13/h6-7H,2-5,13H2,1H3,(H2,14,16)
InChIKeyDAVXEQDCTOSHMN-UHFFFAOYSA-N
XLogP0.82
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(6-amino-5-methyl-2,3-dihydroindol-1-yl)propanamide 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 3-(6-amino-5-methyl-2,3-dihydroindol-1-yl)propanamide?
The IUPAC name of 3-(6-amino-5-methyl-2,3-dihydroindol-1-yl)propanamide (CID 83212549) is 3-(6-amino-5-methyl-2,3-dihydroindol-1-yl)propanamide.
What is the SMILES notation for 3-(6-amino-5-methyl-2,3-dihydroindol-1-yl)propanamide?
The canonical SMILES for 3-(6-amino-5-methyl-2,3-dihydroindol-1-yl)propanamide is Cc1cc2c(cc1N)N(CCC(N)=O)CC2.
What is the InChIKey of 3-(6-amino-5-methyl-2,3-dihydroindol-1-yl)propanamide?
The InChIKey is DAVXEQDCTOSHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-6-9-2-4-15(5-3-12(14)16)11(9)7-10(8)13/h6-7H,2-5,13H2,1H3,(H2,14,16).
What are the key properties of 3-(6-amino-5-methyl-2,3-dihydroindol-1-yl)propanamide?
3-(6-amino-5-methyl-2,3-dihydroindol-1-yl)propanamide has a molecular weight of 219.29 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-5-methyl-2,3-dihydroindol-1-yl)propanamide is sourced from PubChem (CID 83212549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).