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

C12H18N4O — CID 174474058

IUPAC5-methyl-1,3,3-tris(methylamino)indol-2-one
SMILESCNN1C(=O)C(NC)(NC)c2cc(C)ccc21
InChIInChI=1S/C12H18N4O/c1-8-5-6-10-9(7-8)12(13-2,14-3)11(17)16(10)15-4/h5-7,13-15H,1-4H3
InChIKeyMQJAOGWEOFHWHS-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.07
Rot. Bonds3

About 5-methyl-1,3,3-tris(methylamino)indol-2-one

5-methyl-1,3,3-tris(methylamino)indol-2-one (PubChem CID 174474058) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-methyl-1,3,3-tris(methylamino)indol-2-one.

Molecular Properties

Compound Name5-methyl-1,3,3-tris(methylamino)indol-2-one
PubChem CID174474058
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name5-methyl-1,3,3-tris(methylamino)indol-2-one
SMILESCNN1C(=O)C(NC)(NC)c2cc(C)ccc21
InChIInChI=1S/C12H18N4O/c1-8-5-6-10-9(7-8)12(13-2,14-3)11(17)16(10)15-4/h5-7,13-15H,1-4H3
InChIKeyMQJAOGWEOFHWHS-UHFFFAOYSA-N
XLogP0.07
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.07
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 5-methyl-1,3,3-tris(methylamino)indol-2-one?
The IUPAC name of 5-methyl-1,3,3-tris(methylamino)indol-2-one (CID 174474058) is 5-methyl-1,3,3-tris(methylamino)indol-2-one.
What is the SMILES notation for 5-methyl-1,3,3-tris(methylamino)indol-2-one?
The canonical SMILES for 5-methyl-1,3,3-tris(methylamino)indol-2-one is CNN1C(=O)C(NC)(NC)c2cc(C)ccc21.
What is the InChIKey of 5-methyl-1,3,3-tris(methylamino)indol-2-one?
The InChIKey is MQJAOGWEOFHWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-5-6-10-9(7-8)12(13-2,14-3)11(17)16(10)15-4/h5-7,13-15H,1-4H3.
What are the key properties of 5-methyl-1,3,3-tris(methylamino)indol-2-one?
5-methyl-1,3,3-tris(methylamino)indol-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3,3-tris(methylamino)indol-2-one is sourced from PubChem (CID 174474058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).