N-(3-formyl-2-methyl-1H-indol-5-yl)acetamide

C12H12N2O2 — CID 118108334

IUPACN-(3-formyl-2-methyl-1H-indol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2[nH]c(C)c(C=O)c2c1
InChIInChI=1S/C12H12N2O2/c1-7-11(6-15)10-5-9(14-8(2)16)3-4-12(10)13-7/h3-6,13H,1-2H3,(H,14,16)
InChIKeyIGHAQGFQUWEKJH-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.25
Rot. Bonds2

About N-(3-formyl-2-methyl-1H-indol-5-yl)acetamide

N-(3-formyl-2-methyl-1H-indol-5-yl)acetamide (PubChem CID 118108334) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is N-(3-formyl-2-methyl-1H-indol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-formyl-2-methyl-1H-indol-5-yl)acetamide
PubChem CID118108334
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC NameN-(3-formyl-2-methyl-1H-indol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2[nH]c(C)c(C=O)c2c1
InChIInChI=1S/C12H12N2O2/c1-7-11(6-15)10-5-9(14-8(2)16)3-4-12(10)13-7/h3-6,13H,1-2H3,(H,14,16)
InChIKeyIGHAQGFQUWEKJH-UHFFFAOYSA-N
XLogP2.25
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-formyl-2-methyl-1H-indol-5-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-(3-formyl-2-methyl-1H-indol-5-yl)acetamide?
The IUPAC name of N-(3-formyl-2-methyl-1H-indol-5-yl)acetamide (CID 118108334) is N-(3-formyl-2-methyl-1H-indol-5-yl)acetamide.
What is the SMILES notation for N-(3-formyl-2-methyl-1H-indol-5-yl)acetamide?
The canonical SMILES for N-(3-formyl-2-methyl-1H-indol-5-yl)acetamide is CC(=O)Nc1ccc2[nH]c(C)c(C=O)c2c1.
What is the InChIKey of N-(3-formyl-2-methyl-1H-indol-5-yl)acetamide?
The InChIKey is IGHAQGFQUWEKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-7-11(6-15)10-5-9(14-8(2)16)3-4-12(10)13-7/h3-6,13H,1-2H3,(H,14,16).
What are the key properties of N-(3-formyl-2-methyl-1H-indol-5-yl)acetamide?
N-(3-formyl-2-methyl-1H-indol-5-yl)acetamide has a molecular weight of 216.24 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formyl-2-methyl-1H-indol-5-yl)acetamide is sourced from PubChem (CID 118108334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).