5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-3H-indol-2-one

C13H18N2O2 — CID 115216242

IUPAC5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-3H-indol-2-one
SMILESCN(CCO)Cc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C13H18N2O2/c1-14(5-6-16)9-10-3-4-12-11(7-10)8-13(17)15(12)2/h3-4,7,16H,5-6,8-9H2,1-2H3
InChIKeyLACXQGKIDWCBAB-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.63
Rot. Bonds4

About 5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-3H-indol-2-one

5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-3H-indol-2-one (PubChem CID 115216242) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-3H-indol-2-one
PubChem CID115216242
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-3H-indol-2-one
SMILESCN(CCO)Cc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C13H18N2O2/c1-14(5-6-16)9-10-3-4-12-11(7-10)8-13(17)15(12)2/h3-4,7,16H,5-6,8-9H2,1-2H3
InChIKeyLACXQGKIDWCBAB-UHFFFAOYSA-N
XLogP0.63
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-3H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1-methyl-3H-indol-2-one
CID 115121498
1,3-dimethyl-1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea
CID 115169226
1-methyl-5-[2-[methyl(sulfanylmethyl)amino]ethyl]-3H-indol-2-one
CID 115228405
5-[2-[aminomethyl(methyl)amino]ethyl]-1-methyl-3H-indol-2-one
CID 115226209
5-(2-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 116928648
1-methyl-5-(3-oxobutyl)-3H-indol-2-one
CID 82471813
5-[2-(hydroxymethyl)butyl]-1-methyl-3H-indol-2-one
CID 116930762
methyl 4-(1-methyl-2-oxo-3H-indol-5-yl)butanoate
CID 82350338
N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82295802
1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
CID 82475334
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide
CID 115193579
5-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one
CID 110768313

Frequently Asked Questions

What is the IUPAC name of 5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-3H-indol-2-one (CID 115216242) is 5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-3H-indol-2-one is CN(CCO)Cc1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-3H-indol-2-one?
The InChIKey is LACXQGKIDWCBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14(5-6-16)9-10-3-4-12-11(7-10)8-13(17)15(12)2/h3-4,7,16H,5-6,8-9H2,1-2H3.
What are the key properties of 5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-3H-indol-2-one?
5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-3H-indol-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 115216242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).