5-[1-(dimethylamino)-2-hydroxyethyl]-1,3-dihydroindol-2-one

C12H16N2O2 — CID 116857239

IUPAC5-[1-(dimethylamino)-2-hydroxyethyl]-1,3-dihydroindol-2-one
SMILESCN(C)C(CO)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H16N2O2/c1-14(2)11(7-15)8-3-4-10-9(5-8)6-12(16)13-10/h3-5,11,15H,6-7H2,1-2H3,(H,13,16)
InChIKeyWAYDRPDLBWNDSB-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.78
Rot. Bonds3

About 5-[1-(dimethylamino)-2-hydroxyethyl]-1,3-dihydroindol-2-one

5-[1-(dimethylamino)-2-hydroxyethyl]-1,3-dihydroindol-2-one (PubChem CID 116857239) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-[1-(dimethylamino)-2-hydroxyethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[1-(dimethylamino)-2-hydroxyethyl]-1,3-dihydroindol-2-one
PubChem CID116857239
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5-[1-(dimethylamino)-2-hydroxyethyl]-1,3-dihydroindol-2-one
SMILESCN(C)C(CO)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H16N2O2/c1-14(2)11(7-15)8-3-4-10-9(5-8)6-12(16)13-10/h3-5,11,15H,6-7H2,1-2H3,(H,13,16)
InChIKeyWAYDRPDLBWNDSB-UHFFFAOYSA-N
XLogP0.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(hydroxymethyl)-1-(methylamino)butyl]-1,3-dihydroindol-2-one
CID 116959878
6-[1-(dimethylamino)-2-hydroxyethyl]-4H-1,4-benzothiazin-3-one
CID 116857284
2-amino-N',N'-dimethyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetohydrazide
CID 116849801
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
5-[4-hydroxy-1-(methylamino)butyl]-1,3-dihydroindol-2-one
CID 116952949
methyl 3,4-dihydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)butanoate
CID 171895821
(2S)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438818
(2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438819
5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one
CID 116932458
5-[2-(ethylamino)-1-hydroxypropyl]-1,3-dihydroindol-2-one
CID 82290690
N-methyl-2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82475513
2-amino-N-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 116850390

Frequently Asked Questions

What is the IUPAC name of 5-[1-(dimethylamino)-2-hydroxyethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[1-(dimethylamino)-2-hydroxyethyl]-1,3-dihydroindol-2-one (CID 116857239) is 5-[1-(dimethylamino)-2-hydroxyethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[1-(dimethylamino)-2-hydroxyethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[1-(dimethylamino)-2-hydroxyethyl]-1,3-dihydroindol-2-one is CN(C)C(CO)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[1-(dimethylamino)-2-hydroxyethyl]-1,3-dihydroindol-2-one?
The InChIKey is WAYDRPDLBWNDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14(2)11(7-15)8-3-4-10-9(5-8)6-12(16)13-10/h3-5,11,15H,6-7H2,1-2H3,(H,13,16).
What are the key properties of 5-[1-(dimethylamino)-2-hydroxyethyl]-1,3-dihydroindol-2-one?
5-[1-(dimethylamino)-2-hydroxyethyl]-1,3-dihydroindol-2-one has a molecular weight of 220.27 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(dimethylamino)-2-hydroxyethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 116857239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).