2,4-dimethylindol-3-one

C10H9NO — CID 174443147

IUPAC2,4-dimethylindol-3-one
SMILESCC1=Nc2cccc(C)c2C1=O
InChIInChI=1S/C10H9NO/c1-6-4-3-5-8-9(6)10(12)7(2)11-8/h3-5H,1-2H3
InChIKeyPYLXFCRGFPJKQV-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.28
Rot. Bonds

About 2,4-dimethylindol-3-one

2,4-dimethylindol-3-one (PubChem CID 174443147) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 2,4-dimethylindol-3-one.

Molecular Properties

Compound Name2,4-dimethylindol-3-one
PubChem CID174443147
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name2,4-dimethylindol-3-one
SMILESCC1=Nc2cccc(C)c2C1=O
InChIInChI=1S/C10H9NO/c1-6-4-3-5-8-9(6)10(12)7(2)11-8/h3-5H,1-2H3
InChIKeyPYLXFCRGFPJKQV-UHFFFAOYSA-N
XLogP2.28
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylindol-3-one?
The IUPAC name of 2,4-dimethylindol-3-one (CID 174443147) is 2,4-dimethylindol-3-one.
What is the SMILES notation for 2,4-dimethylindol-3-one?
The canonical SMILES for 2,4-dimethylindol-3-one is CC1=Nc2cccc(C)c2C1=O.
What is the InChIKey of 2,4-dimethylindol-3-one?
The InChIKey is PYLXFCRGFPJKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-6-4-3-5-8-9(6)10(12)7(2)11-8/h3-5H,1-2H3.
What are the key properties of 2,4-dimethylindol-3-one?
2,4-dimethylindol-3-one has a molecular weight of 159.19 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylindol-3-one is sourced from PubChem (CID 174443147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).