3-hydroxy-3-[2-(methylamino)ethyl]-1H-indol-2-one

C11H14N2O2 — CID 10987427

IUPAC3-hydroxy-3-[2-(methylamino)ethyl]-1H-indol-2-one
SMILESCNCCC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C11H14N2O2/c1-12-7-6-11(15)8-4-2-3-5-9(8)13-10(11)14/h2-5,12,15H,6-7H2,1H3,(H,13,14)
InChIKeyZCPFUYXRGAKFRP-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.44
Rot. Bonds3

About 3-hydroxy-3-[2-(methylamino)ethyl]-1H-indol-2-one

3-hydroxy-3-[2-(methylamino)ethyl]-1H-indol-2-one (PubChem CID 10987427) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-hydroxy-3-[2-(methylamino)ethyl]-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-[2-(methylamino)ethyl]-1H-indol-2-one
PubChem CID10987427
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name3-hydroxy-3-[2-(methylamino)ethyl]-1H-indol-2-one
SMILESCNCCC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C11H14N2O2/c1-12-7-6-11(15)8-4-2-3-5-9(8)13-10(11)14/h2-5,12,15H,6-7H2,1H3,(H,13,14)
InChIKeyZCPFUYXRGAKFRP-UHFFFAOYSA-N
XLogP0.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[2-(methylamino)ethyl]-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-[2-(methylamino)ethyl]-1H-indol-2-one (CID 10987427) is 3-hydroxy-3-[2-(methylamino)ethyl]-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-[2-(methylamino)ethyl]-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-[2-(methylamino)ethyl]-1H-indol-2-one is CNCCC1(O)C(=O)Nc2ccccc21.
What is the InChIKey of 3-hydroxy-3-[2-(methylamino)ethyl]-1H-indol-2-one?
The InChIKey is ZCPFUYXRGAKFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-12-7-6-11(15)8-4-2-3-5-9(8)13-10(11)14/h2-5,12,15H,6-7H2,1H3,(H,13,14).
What are the key properties of 3-hydroxy-3-[2-(methylamino)ethyl]-1H-indol-2-one?
3-hydroxy-3-[2-(methylamino)ethyl]-1H-indol-2-one has a molecular weight of 206.25 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[2-(methylamino)ethyl]-1H-indol-2-one is sourced from PubChem (CID 10987427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).