1,3,3-tris(methylamino)indol-2-one

C11H16N4O — CID 174746881

IUPAC1,3,3-tris(methylamino)indol-2-one
SMILESCNN1C(=O)C(NC)(NC)c2ccccc21
InChIInChI=1S/C11H16N4O/c1-12-11(13-2)8-6-4-5-7-9(8)15(14-3)10(11)16/h4-7,12-14H,1-3H3
InChIKeyOJFWQBHZQSXAFN-UHFFFAOYSA-N
MW220.28 g/mol
LogP-0.24
Rot. Bonds3

About 1,3,3-tris(methylamino)indol-2-one

1,3,3-tris(methylamino)indol-2-one (PubChem CID 174746881) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1,3,3-tris(methylamino)indol-2-one.

Molecular Properties

Compound Name1,3,3-tris(methylamino)indol-2-one
PubChem CID174746881
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1,3,3-tris(methylamino)indol-2-one
SMILESCNN1C(=O)C(NC)(NC)c2ccccc21
InChIInChI=1S/C11H16N4O/c1-12-11(13-2)8-6-4-5-7-9(8)15(14-3)10(11)16/h4-7,12-14H,1-3H3
InChIKeyOJFWQBHZQSXAFN-UHFFFAOYSA-N
XLogP-0.24
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-tris(methylamino)indol-2-one?
The IUPAC name of 1,3,3-tris(methylamino)indol-2-one (CID 174746881) is 1,3,3-tris(methylamino)indol-2-one.
What is the SMILES notation for 1,3,3-tris(methylamino)indol-2-one?
The canonical SMILES for 1,3,3-tris(methylamino)indol-2-one is CNN1C(=O)C(NC)(NC)c2ccccc21.
What is the InChIKey of 1,3,3-tris(methylamino)indol-2-one?
The InChIKey is OJFWQBHZQSXAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-12-11(13-2)8-6-4-5-7-9(8)15(14-3)10(11)16/h4-7,12-14H,1-3H3.
What are the key properties of 1,3,3-tris(methylamino)indol-2-one?
1,3,3-tris(methylamino)indol-2-one has a molecular weight of 220.28 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-tris(methylamino)indol-2-one is sourced from PubChem (CID 174746881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).