5-methylindol-1-ium-2-one

C9H8NO+ — CID 149346009

IUPAC5-methylindol-1-ium-2-one
SMILESCc1ccc2c(c1)=CC(=O)[NH+]=2
InChIInChI=1S/C9H7NO/c1-6-2-3-8-7(4-6)5-9(11)10-8/h2-5H,1H3/p+1
InChIKeyYFBXTDAYOYBAJI-UHFFFAOYSA-O
MW146.17 g/mol
LogP-1.98
Rot. Bonds

About 5-methylindol-1-ium-2-one

5-methylindol-1-ium-2-one (PubChem CID 149346009) has the molecular formula C9H8NO+ and a molecular weight of 146.17 g/mol. Its IUPAC name is 5-methylindol-1-ium-2-one.

Molecular Properties

Compound Name5-methylindol-1-ium-2-one
PubChem CID149346009
Molecular FormulaC9H8NO+
Molecular Weight146.17 g/mol
Exact Mass146.06
IUPAC Name5-methylindol-1-ium-2-one
SMILESCc1ccc2c(c1)=CC(=O)[NH+]=2
InChIInChI=1S/C9H7NO/c1-6-2-3-8-7(4-6)5-9(11)10-8/h2-5H,1H3/p+1
InChIKeyYFBXTDAYOYBAJI-UHFFFAOYSA-O
XLogP-1.98
TPSA31.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 5-1.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Indol-2-one
CID 17904787
Fluoro-indolone
CID 54356889
Benzazoninone
CID 20269004
3-Methyl-oxoindole
CID 21477845
5-Aminocarbonyl benzimidazolone
CID 125415327
Cyclopenta-(b)-pyridinone
CID 129707027
6-(Fluoromethyl)indol-2-one
CID 20284781
6-Fluoroindol-2-one
CID 45108281
5-Fluoro-2-oxo-indole
CID 46739847
4-Fluoro-2H-indol-2-one
CID 46739859
5-Fluoro-3-methylindol-2-one
CID 151271798
6-Fluoro-5-methylindol-2-one
CID 153881793

Frequently Asked Questions

What is the IUPAC name of 5-methylindol-1-ium-2-one?
The IUPAC name of 5-methylindol-1-ium-2-one (CID 149346009) is 5-methylindol-1-ium-2-one.
What is the SMILES notation for 5-methylindol-1-ium-2-one?
The canonical SMILES for 5-methylindol-1-ium-2-one is Cc1ccc2c(c1)=CC(=O)[NH+]=2.
What is the InChIKey of 5-methylindol-1-ium-2-one?
The InChIKey is YFBXTDAYOYBAJI-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H7NO/c1-6-2-3-8-7(4-6)5-9(11)10-8/h2-5H,1H3/p+1.
What are the key properties of 5-methylindol-1-ium-2-one?
5-methylindol-1-ium-2-one has a molecular weight of 146.17 g/mol, XLogP of -1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylindol-1-ium-2-one is sourced from PubChem (CID 149346009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).