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

C16H23N3O2 — CID 102744234

IUPAC3-amino-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-dihydroindol-2-one
SMILESCC1(C)CN(c2ccc3c(c2)NC(=O)C3N)CC(C)(C)O1
InChIInChI=1S/C16H23N3O2/c1-15(2)8-19(9-16(3,4)21-15)10-5-6-11-12(7-10)18-14(20)13(11)17/h5-7,13H,8-9,17H2,1-4H3,(H,18,20)
InChIKeyXQKCSVFNLRYLKE-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.03
Rot. Bonds1

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

3-amino-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-dihydroindol-2-one (PubChem CID 102744234) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-amino-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-dihydroindol-2-one
PubChem CID102744234
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-amino-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-dihydroindol-2-one
SMILESCC1(C)CN(c2ccc3c(c2)NC(=O)C3N)CC(C)(C)O1
InChIInChI=1S/C16H23N3O2/c1-15(2)8-19(9-16(3,4)21-15)10-5-6-11-12(7-10)18-14(20)13(11)17/h5-7,13H,8-9,17H2,1-4H3,(H,18,20)
InChIKeyXQKCSVFNLRYLKE-UHFFFAOYSA-N
XLogP2.03
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-dihydroindol-2-one (CID 102744234) is 3-amino-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-dihydroindol-2-one is CC1(C)CN(c2ccc3c(c2)NC(=O)C3N)CC(C)(C)O1.
What is the InChIKey of 3-amino-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-dihydroindol-2-one?
The InChIKey is XQKCSVFNLRYLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-15(2)8-19(9-16(3,4)21-15)10-5-6-11-12(7-10)18-14(20)13(11)17/h5-7,13H,8-9,17H2,1-4H3,(H,18,20).
What are the key properties of 3-amino-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-dihydroindol-2-one?
3-amino-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-dihydroindol-2-one has a molecular weight of 289.38 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 102744234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).