N-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide

C12H13N3O — CID 80573201

IUPACN-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
SMILESN#CCNC(=O)CC1CNc2ccccc21
InChIInChI=1S/C12H13N3O/c13-5-6-14-12(16)7-9-8-15-11-4-2-1-3-10(9)11/h1-4,9,15H,6-8H2,(H,14,16)
InChIKeyOCKKBUIBJJIYRJ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.23
Rot. Bonds3

About N-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide

N-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide (PubChem CID 80573201) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
PubChem CID80573201
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
SMILESN#CCNC(=O)CC1CNc2ccccc21
InChIInChI=1S/C12H13N3O/c13-5-6-14-12(16)7-9-8-15-11-4-2-1-3-10(9)11/h1-4,9,15H,6-8H2,(H,14,16)
InChIKeyOCKKBUIBJJIYRJ-UHFFFAOYSA-N
XLogP1.23
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide 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 N-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide?
The IUPAC name of N-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide (CID 80573201) is N-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide is N#CCNC(=O)CC1CNc2ccccc21.
What is the InChIKey of N-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide?
The InChIKey is OCKKBUIBJJIYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-5-6-14-12(16)7-9-8-15-11-4-2-1-3-10(9)11/h1-4,9,15H,6-8H2,(H,14,16).
What are the key properties of N-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide?
N-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide has a molecular weight of 215.26 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide is sourced from PubChem (CID 80573201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).