3-[2-hydroxy-1-(methylamino)ethyl]-1,3-dihydroindol-2-one

C11H14N2O2 — CID 20976490

IUPAC3-[2-hydroxy-1-(methylamino)ethyl]-1,3-dihydroindol-2-one
SMILESCNC(CO)C1C(=O)Nc2ccccc21
InChIInChI=1S/C11H14N2O2/c1-12-9(6-14)10-7-4-2-3-5-8(7)13-11(10)15/h2-5,9-10,12,14H,6H2,1H3,(H,13,15)
InChIKeyIUELNUPRZWVDQD-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.30
Rot. Bonds3

About 3-[2-hydroxy-1-(methylamino)ethyl]-1,3-dihydroindol-2-one

3-[2-hydroxy-1-(methylamino)ethyl]-1,3-dihydroindol-2-one (PubChem CID 20976490) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-[2-hydroxy-1-(methylamino)ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[2-hydroxy-1-(methylamino)ethyl]-1,3-dihydroindol-2-one
PubChem CID20976490
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name3-[2-hydroxy-1-(methylamino)ethyl]-1,3-dihydroindol-2-one
SMILESCNC(CO)C1C(=O)Nc2ccccc21
InChIInChI=1S/C11H14N2O2/c1-12-9(6-14)10-7-4-2-3-5-8(7)13-11(10)15/h2-5,9-10,12,14H,6H2,1H3,(H,13,15)
InChIKeyIUELNUPRZWVDQD-UHFFFAOYSA-N
XLogP0.30
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2-(2-oxo-1,3-dihydroindol-3-yl)propanedioate
CID 11460508
ethane;2-(methylamino)-3-(2-oxo-1,3-dihydroindol-3-yl)propanenitrile
CID 163373688
N-methyl-2-[(2-oxo-1,3-dihydroindol-3-yl)amino]acetamide
CID 43214747
3-(1-aminoprop-2-enyl)-1,3-dihydroindol-2-one
CID 66628472
(2R)-2-[[2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]propanoic acid
CID 2321165
3-[(2S)-butan-2-yl]-N-methyl-2-oxo-1,3,4,5-tetrahydro-1,4-benzodiazepine-5-carboxamide
CID 163292576
[(4-chlorophenyl)-(2-oxo-1,3-dihydroindol-3-yl)methyl]urea
CID 72947206
3-ethoxy-1,3-dihydroindol-2-one
CID 5206883
3-(2-phenylpropylamino)-1,3-dihydroindol-2-one
CID 43204620
methyl 3-(2-oxo-1,3-dihydroindol-3-yl)propanoate
CID 14903583
[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium
CID 6921460
2-[(2-oxo-1,3-dihydroindol-3-yl)amino]acetamide
CID 16770871

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-1-(methylamino)ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[2-hydroxy-1-(methylamino)ethyl]-1,3-dihydroindol-2-one (CID 20976490) is 3-[2-hydroxy-1-(methylamino)ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[2-hydroxy-1-(methylamino)ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[2-hydroxy-1-(methylamino)ethyl]-1,3-dihydroindol-2-one is CNC(CO)C1C(=O)Nc2ccccc21.
What is the InChIKey of 3-[2-hydroxy-1-(methylamino)ethyl]-1,3-dihydroindol-2-one?
The InChIKey is IUELNUPRZWVDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-12-9(6-14)10-7-4-2-3-5-8(7)13-11(10)15/h2-5,9-10,12,14H,6H2,1H3,(H,13,15).
What are the key properties of 3-[2-hydroxy-1-(methylamino)ethyl]-1,3-dihydroindol-2-one?
3-[2-hydroxy-1-(methylamino)ethyl]-1,3-dihydroindol-2-one has a molecular weight of 206.24 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-1-(methylamino)ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 20976490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).