3,3-dimethoxy-1,6-dimethylindol-2-one

C12H15NO3 — CID 54543930

IUPAC3,3-dimethoxy-1,6-dimethylindol-2-one
SMILESCOC1(OC)C(=O)N(C)c2cc(C)ccc21
InChIInChI=1S/C12H15NO3/c1-8-5-6-9-10(7-8)13(2)11(14)12(9,15-3)16-4/h5-7H,1-4H3
InChIKeyZFFJUSFSRXNCBJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.42
Rot. Bonds2

About 3,3-dimethoxy-1,6-dimethylindol-2-one

3,3-dimethoxy-1,6-dimethylindol-2-one (PubChem CID 54543930) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3,3-dimethoxy-1,6-dimethylindol-2-one.

Molecular Properties

Compound Name3,3-dimethoxy-1,6-dimethylindol-2-one
PubChem CID54543930
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name3,3-dimethoxy-1,6-dimethylindol-2-one
SMILESCOC1(OC)C(=O)N(C)c2cc(C)ccc21
InChIInChI=1S/C12H15NO3/c1-8-5-6-9-10(7-8)13(2)11(14)12(9,15-3)16-4/h5-7H,1-4H3
InChIKeyZFFJUSFSRXNCBJ-UHFFFAOYSA-N
XLogP1.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3,3-dimethoxy-1,6-dimethylindol-2-one?
The IUPAC name of 3,3-dimethoxy-1,6-dimethylindol-2-one (CID 54543930) is 3,3-dimethoxy-1,6-dimethylindol-2-one.
What is the SMILES notation for 3,3-dimethoxy-1,6-dimethylindol-2-one?
The canonical SMILES for 3,3-dimethoxy-1,6-dimethylindol-2-one is COC1(OC)C(=O)N(C)c2cc(C)ccc21.
What is the InChIKey of 3,3-dimethoxy-1,6-dimethylindol-2-one?
The InChIKey is ZFFJUSFSRXNCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8-5-6-9-10(7-8)13(2)11(14)12(9,15-3)16-4/h5-7H,1-4H3.
What are the key properties of 3,3-dimethoxy-1,6-dimethylindol-2-one?
3,3-dimethoxy-1,6-dimethylindol-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxy-1,6-dimethylindol-2-one is sourced from PubChem (CID 54543930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).