3-hydroxy-1-methyl-3-morpholin-4-ylindol-2-one

C13H16N2O3 — CID 3617870

IUPAC3-hydroxy-1-methyl-3-morpholin-4-ylindol-2-one
SMILESCN1C(=O)C(O)(N2CCOCC2)c2ccccc21
InChIInChI=1S/C13H16N2O3/c1-14-11-5-3-2-4-10(11)13(17,12(14)16)15-6-8-18-9-7-15/h2-5,17H,6-9H2,1H3
InChIKeyJMPSORORJUWKGN-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.14
Rot. Bonds1

About 3-hydroxy-1-methyl-3-morpholin-4-ylindol-2-one

3-hydroxy-1-methyl-3-morpholin-4-ylindol-2-one (PubChem CID 3617870) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-3-morpholin-4-ylindol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-3-morpholin-4-ylindol-2-one
PubChem CID3617870
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-hydroxy-1-methyl-3-morpholin-4-ylindol-2-one
SMILESCN1C(=O)C(O)(N2CCOCC2)c2ccccc21
InChIInChI=1S/C13H16N2O3/c1-14-11-5-3-2-4-10(11)13(17,12(14)16)15-6-8-18-9-7-15/h2-5,17H,6-9H2,1H3
InChIKeyJMPSORORJUWKGN-UHFFFAOYSA-N
XLogP0.14
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-3-morpholin-4-ylindol-2-one?
The IUPAC name of 3-hydroxy-1-methyl-3-morpholin-4-ylindol-2-one (CID 3617870) is 3-hydroxy-1-methyl-3-morpholin-4-ylindol-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-3-morpholin-4-ylindol-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-3-morpholin-4-ylindol-2-one is CN1C(=O)C(O)(N2CCOCC2)c2ccccc21.
What is the InChIKey of 3-hydroxy-1-methyl-3-morpholin-4-ylindol-2-one?
The InChIKey is JMPSORORJUWKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-14-11-5-3-2-4-10(11)13(17,12(14)16)15-6-8-18-9-7-15/h2-5,17H,6-9H2,1H3.
What are the key properties of 3-hydroxy-1-methyl-3-morpholin-4-ylindol-2-one?
3-hydroxy-1-methyl-3-morpholin-4-ylindol-2-one has a molecular weight of 248.28 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-3-morpholin-4-ylindol-2-one is sourced from PubChem (CID 3617870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).