3-(2-hydroxyethylamino)-1-methyl-3H-indol-2-one

C11H14N2O2 — CID 82236769

IUPAC3-(2-hydroxyethylamino)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)C(NCCO)c2ccccc21
InChIInChI=1S/C11H14N2O2/c1-13-9-5-3-2-4-8(9)10(11(13)15)12-6-7-14/h2-5,10,12,14H,6-7H2,1H3
InChIKeyXIGNPPGJPIFHCN-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.29
Rot. Bonds3

About 3-(2-hydroxyethylamino)-1-methyl-3H-indol-2-one

3-(2-hydroxyethylamino)-1-methyl-3H-indol-2-one (PubChem CID 82236769) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-(2-hydroxyethylamino)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name3-(2-hydroxyethylamino)-1-methyl-3H-indol-2-one
PubChem CID82236769
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name3-(2-hydroxyethylamino)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)C(NCCO)c2ccccc21
InChIInChI=1S/C11H14N2O2/c1-13-9-5-3-2-4-8(9)10(11(13)15)12-6-7-14/h2-5,10,12,14H,6-7H2,1H3
InChIKeyXIGNPPGJPIFHCN-UHFFFAOYSA-N
XLogP0.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-hydroxypropylamino)-1-methyl-3H-indol-2-one
CID 82238882
3-(butylamino)-1-methyl-3H-indol-2-one
CID 82238881
(3R)-3-(2-hydroxyethyl)-1-methyl-3H-indol-2-one
CID 26342865
N-[2-(2-hydroxyethoxy)ethyl]-N'-(1-methyl-2-oxo-3H-indol-3-yl)oxamide
CID 51043505
N-[2-(dimethylamino)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 51973716
N-[3-(diethylamino)propyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 40947557
N-[3-(diethylamino)propyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 29075014
N-benzyl-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 40946997
3-(hexan-2-ylamino)-1-methyl-3H-indol-2-one
CID 114999516
(3R)-3-ethyl-1-methyl-3H-indol-2-one
CID 51382688
1-(1-methyl-2-oxo-3H-indol-3-yl)-3-(4-methylphenyl)urea
CID 140967408
N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide
CID 98231836

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylamino)-1-methyl-3H-indol-2-one?
The IUPAC name of 3-(2-hydroxyethylamino)-1-methyl-3H-indol-2-one (CID 82236769) is 3-(2-hydroxyethylamino)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 3-(2-hydroxyethylamino)-1-methyl-3H-indol-2-one?
The canonical SMILES for 3-(2-hydroxyethylamino)-1-methyl-3H-indol-2-one is CN1C(=O)C(NCCO)c2ccccc21.
What is the InChIKey of 3-(2-hydroxyethylamino)-1-methyl-3H-indol-2-one?
The InChIKey is XIGNPPGJPIFHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-13-9-5-3-2-4-8(9)10(11(13)15)12-6-7-14/h2-5,10,12,14H,6-7H2,1H3.
What are the key properties of 3-(2-hydroxyethylamino)-1-methyl-3H-indol-2-one?
3-(2-hydroxyethylamino)-1-methyl-3H-indol-2-one has a molecular weight of 206.24 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylamino)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 82236769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).