3,4-dimethylindol-2-one

C10H9NO — CID 70089549

IUPAC3,4-dimethylindol-2-one
SMILESCC1=c2c(C)cccc2=NC1=O
InChIInChI=1S/C10H9NO/c1-6-4-3-5-8-9(6)7(2)10(12)11-8/h3-5H,1-2H3
InChIKeyHHOZZJAEPUKRFG-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.33
Rot. Bonds

About 3,4-dimethylindol-2-one

3,4-dimethylindol-2-one (PubChem CID 70089549) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 3,4-dimethylindol-2-one.

Molecular Properties

Compound Name3,4-dimethylindol-2-one
PubChem CID70089549
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name3,4-dimethylindol-2-one
SMILESCC1=c2c(C)cccc2=NC1=O
InChIInChI=1S/C10H9NO/c1-6-4-3-5-8-9(6)7(2)10(12)11-8/h3-5H,1-2H3
InChIKeyHHOZZJAEPUKRFG-UHFFFAOYSA-N
XLogP0.33
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylindol-2-one?
The IUPAC name of 3,4-dimethylindol-2-one (CID 70089549) is 3,4-dimethylindol-2-one.
What is the SMILES notation for 3,4-dimethylindol-2-one?
The canonical SMILES for 3,4-dimethylindol-2-one is CC1=c2c(C)cccc2=NC1=O.
What is the InChIKey of 3,4-dimethylindol-2-one?
The InChIKey is HHOZZJAEPUKRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-6-4-3-5-8-9(6)7(2)10(12)11-8/h3-5H,1-2H3.
What are the key properties of 3,4-dimethylindol-2-one?
3,4-dimethylindol-2-one has a molecular weight of 159.19 g/mol, XLogP of 0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylindol-2-one is sourced from PubChem (CID 70089549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).