indol-1-ium-2-one

C8H6NO+ — CID 153278873

IUPACindol-1-ium-2-one
SMILESO=C1C=c2ccccc2=[NH+]1
InChIInChI=1S/C8H5NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-5H/p+1
InChIKeyQNLOWBMKUIXCOW-UHFFFAOYSA-O
MW132.14 g/mol
LogP-2.29
Rot. Bonds

About indol-1-ium-2-one

indol-1-ium-2-one (PubChem CID 153278873) has the molecular formula C8H6NO+ and a molecular weight of 132.14 g/mol. Its IUPAC name is indol-1-ium-2-one.

Molecular Properties

Compound Nameindol-1-ium-2-one
PubChem CID153278873
Molecular FormulaC8H6NO+
Molecular Weight132.14 g/mol
Exact Mass132.04
IUPAC Nameindol-1-ium-2-one
SMILESO=C1C=c2ccccc2=[NH+]1
InChIInChI=1S/C8H5NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-5H/p+1
InChIKeyQNLOWBMKUIXCOW-UHFFFAOYSA-O
XLogP-2.29
TPSA31.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 5-2.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Indol-2-one
CID 17904787
6-Bromoindole-2-one
CID 22038270
1-Benzazepin-2-one
CID 20244764
Fluoro-indolone
CID 54356889
5-Chloroindole-2-one
CID 20284810
5-Bromoindol-2-one
CID 46739842
6-Chloroindole-2-one
CID 46739848
Benzazoninone
CID 20269004
3-Methyl-oxoindole
CID 21477845
Indolone-1-oxide
CID 21665805
5-Aminocarbonyl benzimidazolone
CID 125415327
Cyclopenta-(b)-pyridinone
CID 129707027

Frequently Asked Questions

What is the IUPAC name of indol-1-ium-2-one?
The IUPAC name of indol-1-ium-2-one (CID 153278873) is indol-1-ium-2-one.
What is the SMILES notation for indol-1-ium-2-one?
The canonical SMILES for indol-1-ium-2-one is O=C1C=c2ccccc2=[NH+]1.
What is the InChIKey of indol-1-ium-2-one?
The InChIKey is QNLOWBMKUIXCOW-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H5NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-5H/p+1.
What are the key properties of indol-1-ium-2-one?
indol-1-ium-2-one has a molecular weight of 132.14 g/mol, XLogP of -2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for indol-1-ium-2-one is sourced from PubChem (CID 153278873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).