1-(4-amino-2-methylindol-1-yl)-2-(oxetan-3-yl)ethanone

C14H16N2O2 — CID 112526439

IUPAC1-(4-amino-2-methylindol-1-yl)-2-(oxetan-3-yl)ethanone
SMILESCc1cc2c(N)cccc2n1C(=O)CC1COC1
InChIInChI=1S/C14H16N2O2/c1-9-5-11-12(15)3-2-4-13(11)16(9)14(17)6-10-7-18-8-10/h2-5,10H,6-8,15H2,1H3
InChIKeyIDJHXXWWYDAHMW-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.21
Rot. Bonds2

About 1-(4-amino-2-methylindol-1-yl)-2-(oxetan-3-yl)ethanone

1-(4-amino-2-methylindol-1-yl)-2-(oxetan-3-yl)ethanone (PubChem CID 112526439) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(4-amino-2-methylindol-1-yl)-2-(oxetan-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-2-methylindol-1-yl)-2-(oxetan-3-yl)ethanone
PubChem CID112526439
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-(4-amino-2-methylindol-1-yl)-2-(oxetan-3-yl)ethanone
SMILESCc1cc2c(N)cccc2n1C(=O)CC1COC1
InChIInChI=1S/C14H16N2O2/c1-9-5-11-12(15)3-2-4-13(11)16(9)14(17)6-10-7-18-8-10/h2-5,10H,6-8,15H2,1H3
InChIKeyIDJHXXWWYDAHMW-UHFFFAOYSA-N
XLogP2.21
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-amino-2-methylindol-1-yl)-2-(oxetan-3-yl)ethanone 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-(4-amino-2-methylindol-1-yl)-2-(oxetan-3-yl)ethanone?
The IUPAC name of 1-(4-amino-2-methylindol-1-yl)-2-(oxetan-3-yl)ethanone (CID 112526439) is 1-(4-amino-2-methylindol-1-yl)-2-(oxetan-3-yl)ethanone.
What is the SMILES notation for 1-(4-amino-2-methylindol-1-yl)-2-(oxetan-3-yl)ethanone?
The canonical SMILES for 1-(4-amino-2-methylindol-1-yl)-2-(oxetan-3-yl)ethanone is Cc1cc2c(N)cccc2n1C(=O)CC1COC1.
What is the InChIKey of 1-(4-amino-2-methylindol-1-yl)-2-(oxetan-3-yl)ethanone?
The InChIKey is IDJHXXWWYDAHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-5-11-12(15)3-2-4-13(11)16(9)14(17)6-10-7-18-8-10/h2-5,10H,6-8,15H2,1H3.
What are the key properties of 1-(4-amino-2-methylindol-1-yl)-2-(oxetan-3-yl)ethanone?
1-(4-amino-2-methylindol-1-yl)-2-(oxetan-3-yl)ethanone has a molecular weight of 244.29 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methylindol-1-yl)-2-(oxetan-3-yl)ethanone is sourced from PubChem (CID 112526439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).