3-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one

C13H17N3O2 — CID 43586561

IUPAC3-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one
SMILESCC1CN(c2ccc3c(c2)NC(=O)C3N)CCO1
InChIInChI=1S/C13H17N3O2/c1-8-7-16(4-5-18-8)9-2-3-10-11(6-9)15-13(17)12(10)14/h2-3,6,8,12H,4-5,7,14H2,1H3,(H,15,17)
InChIKeyKIAKITZKEDKMOS-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.86
Rot. Bonds1

About 3-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one

3-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one (PubChem CID 43586561) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one
PubChem CID43586561
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one
SMILESCC1CN(c2ccc3c(c2)NC(=O)C3N)CCO1
InChIInChI=1S/C13H17N3O2/c1-8-7-16(4-5-18-8)9-2-3-10-11(6-9)15-13(17)12(10)14/h2-3,6,8,12H,4-5,7,14H2,1H3,(H,15,17)
InChIKeyKIAKITZKEDKMOS-UHFFFAOYSA-N
XLogP0.86
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one (CID 43586561) is 3-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one is CC1CN(c2ccc3c(c2)NC(=O)C3N)CCO1.
What is the InChIKey of 3-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one?
The InChIKey is KIAKITZKEDKMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-7-16(4-5-18-8)9-2-3-10-11(6-9)15-13(17)12(10)14/h2-3,6,8,12H,4-5,7,14H2,1H3,(H,15,17).
What are the key properties of 3-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one?
3-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one has a molecular weight of 247.30 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43586561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).