5-(azetidin-3-ylmethylamino)-1-methyl-3H-indol-2-one

C13H17N3O — CID 115207235

IUPAC5-(azetidin-3-ylmethylamino)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(NCC3CNC3)ccc21
InChIInChI=1S/C13H17N3O/c1-16-12-3-2-11(4-10(12)5-13(16)17)15-8-9-6-14-7-9/h2-4,9,14-15H,5-8H2,1H3
InChIKeyQVIKJIHGALJOEJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.84
Rot. Bonds3

About 5-(azetidin-3-ylmethylamino)-1-methyl-3H-indol-2-one

5-(azetidin-3-ylmethylamino)-1-methyl-3H-indol-2-one (PubChem CID 115207235) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-(azetidin-3-ylmethylamino)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(azetidin-3-ylmethylamino)-1-methyl-3H-indol-2-one
PubChem CID115207235
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-(azetidin-3-ylmethylamino)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(NCC3CNC3)ccc21
InChIInChI=1S/C13H17N3O/c1-16-12-3-2-11(4-10(12)5-13(16)17)15-8-9-6-14-7-9/h2-4,9,14-15H,5-8H2,1H3
InChIKeyQVIKJIHGALJOEJ-UHFFFAOYSA-N
XLogP0.84
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-ylmethylamino)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(azetidin-3-ylmethylamino)-1-methyl-3H-indol-2-one (CID 115207235) is 5-(azetidin-3-ylmethylamino)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(azetidin-3-ylmethylamino)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(azetidin-3-ylmethylamino)-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(NCC3CNC3)ccc21.
What is the InChIKey of 5-(azetidin-3-ylmethylamino)-1-methyl-3H-indol-2-one?
The InChIKey is QVIKJIHGALJOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16-12-3-2-11(4-10(12)5-13(16)17)15-8-9-6-14-7-9/h2-4,9,14-15H,5-8H2,1H3.
What are the key properties of 5-(azetidin-3-ylmethylamino)-1-methyl-3H-indol-2-one?
5-(azetidin-3-ylmethylamino)-1-methyl-3H-indol-2-one has a molecular weight of 231.30 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-ylmethylamino)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 115207235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).