3-amino-6-[2-(dimethylamino)ethoxy]-1,3-dihydroindol-2-one

C12H17N3O2 — CID 63369833

IUPAC3-amino-6-[2-(dimethylamino)ethoxy]-1,3-dihydroindol-2-one
SMILESCN(C)CCOc1ccc2c(c1)NC(=O)C2N
InChIInChI=1S/C12H17N3O2/c1-15(2)5-6-17-8-3-4-9-10(7-8)14-12(16)11(9)13/h3-4,7,11H,5-6,13H2,1-2H3,(H,14,16)
InChIKeyKRDPARAESNJKGC-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.58
Rot. Bonds4

About 3-amino-6-[2-(dimethylamino)ethoxy]-1,3-dihydroindol-2-one

3-amino-6-[2-(dimethylamino)ethoxy]-1,3-dihydroindol-2-one (PubChem CID 63369833) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-amino-6-[2-(dimethylamino)ethoxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-[2-(dimethylamino)ethoxy]-1,3-dihydroindol-2-one
PubChem CID63369833
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-amino-6-[2-(dimethylamino)ethoxy]-1,3-dihydroindol-2-one
SMILESCN(C)CCOc1ccc2c(c1)NC(=O)C2N
InChIInChI=1S/C12H17N3O2/c1-15(2)5-6-17-8-3-4-9-10(7-8)14-12(16)11(9)13/h3-4,7,11H,5-6,13H2,1-2H3,(H,14,16)
InChIKeyKRDPARAESNJKGC-UHFFFAOYSA-N
XLogP0.58
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.58
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-(dimethylamino)ethoxy]-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-[2-(dimethylamino)ethoxy]-1,3-dihydroindol-2-one (CID 63369833) is 3-amino-6-[2-(dimethylamino)ethoxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-[2-(dimethylamino)ethoxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-[2-(dimethylamino)ethoxy]-1,3-dihydroindol-2-one is CN(C)CCOc1ccc2c(c1)NC(=O)C2N.
What is the InChIKey of 3-amino-6-[2-(dimethylamino)ethoxy]-1,3-dihydroindol-2-one?
The InChIKey is KRDPARAESNJKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15(2)5-6-17-8-3-4-9-10(7-8)14-12(16)11(9)13/h3-4,7,11H,5-6,13H2,1-2H3,(H,14,16).
What are the key properties of 3-amino-6-[2-(dimethylamino)ethoxy]-1,3-dihydroindol-2-one?
3-amino-6-[2-(dimethylamino)ethoxy]-1,3-dihydroindol-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[2-(dimethylamino)ethoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 63369833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).