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

C13H17N3O2 — CID 43383153

IUPAC5-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one
SMILESCC1CN(c2cc3c(cc2N)CC(=O)N3)CCO1
InChIInChI=1S/C13H17N3O2/c1-8-7-16(2-3-18-8)12-6-11-9(4-10(12)14)5-13(17)15-11/h4,6,8H,2-3,5,7,14H2,1H3,(H,15,17)
InChIKeyBUNGATVEHKZJDU-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.99
Rot. Bonds1

About 5-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one

5-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one (PubChem CID 43383153) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one
PubChem CID43383153
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one
SMILESCC1CN(c2cc3c(cc2N)CC(=O)N3)CCO1
InChIInChI=1S/C13H17N3O2/c1-8-7-16(2-3-18-8)12-6-11-9(4-10(12)14)5-13(17)15-11/h4,6,8H,2-3,5,7,14H2,1H3,(H,15,17)
InChIKeyBUNGATVEHKZJDU-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-amino-6-(2-methylmorpholin-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 43449729
5-amino-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 43584179
5-amino-6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1,3-dihydroindol-2-one
CID 63150926
5-amino-6-(3,3-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one
CID 61430219
5-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-dihydroindol-2-one
CID 79918799
5-amino-6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one
CID 114796921
5-amino-6-(2-methyl-3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one
CID 55216307
5-amino-6-[4-(methoxymethyl)piperidin-1-yl]-1,3-dihydroindol-2-one
CID 63973072
5-amino-6-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-dihydroindol-2-one
CID 61440898
N-[4-(2-methylmorpholin-4-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110637346
5-chloro-2-(2-methylmorpholin-4-yl)aniline
CID 16772686
5-chloro-4-fluoro-2-(2-methylmorpholin-4-yl)aniline
CID 66076593

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one (CID 43383153) is 5-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one is CC1CN(c2cc3c(cc2N)CC(=O)N3)CCO1.
What is the InChIKey of 5-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one?
The InChIKey is BUNGATVEHKZJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-7-16(2-3-18-8)12-6-11-9(4-10(12)14)5-13(17)15-11/h4,6,8H,2-3,5,7,14H2,1H3,(H,15,17).
What are the key properties of 5-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one?
5-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one has a molecular weight of 247.30 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43383153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).