4,7-dimethylindol-1-ium-2-one

C10H10NO+ — CID 142362216

IUPAC4,7-dimethylindol-1-ium-2-one
SMILESCc1ccc(C)c2c1=CC(=O)[NH+]=2
InChIInChI=1S/C10H9NO/c1-6-3-4-7(2)10-8(6)5-9(12)11-10/h3-5H,1-2H3/p+1
InChIKeyHLDADFMUDNJXCO-UHFFFAOYSA-O
MW160.20 g/mol
LogP-1.68
Rot. Bonds

About 4,7-dimethylindol-1-ium-2-one

4,7-dimethylindol-1-ium-2-one (PubChem CID 142362216) has the molecular formula C10H10NO+ and a molecular weight of 160.20 g/mol. Its IUPAC name is 4,7-dimethylindol-1-ium-2-one.

Molecular Properties

Compound Name4,7-dimethylindol-1-ium-2-one
PubChem CID142362216
Molecular FormulaC10H10NO+
Molecular Weight160.20 g/mol
Exact Mass160.08
IUPAC Name4,7-dimethylindol-1-ium-2-one
SMILESCc1ccc(C)c2c1=CC(=O)[NH+]=2
InChIInChI=1S/C10H9NO/c1-6-3-4-7(2)10-8(6)5-9(12)11-10/h3-5H,1-2H3/p+1
InChIKeyHLDADFMUDNJXCO-UHFFFAOYSA-O
XLogP-1.68
TPSA31.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-1.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-Fluoro-7-methylindol-2-one
CID 141270378
5,6-Difluoroindol-1-ium-2-one
CID 86307950
7-Methylindol-2-one
CID 17804911
7-Ethylindol-2-one
CID 20284804
4,7-Dimethylindol-2-one
CID 20284807
4-Propan-2-ylindol-2-one
CID 20698713
5-Propylindol-2-one
CID 23212396
5-Ethylindol-2-one
CID 23212401
4-Methylindol-2-one
CID 46739844
2,4-Dimethyl-3,7-dihydropyrrolo[2,3-b]pyridin-6-one
CID 58242702
Acetamide;indol-2-one
CID 67245913
3,4-Dimethylindol-2-one
CID 70089549

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethylindol-1-ium-2-one?
The IUPAC name of 4,7-dimethylindol-1-ium-2-one (CID 142362216) is 4,7-dimethylindol-1-ium-2-one.
What is the SMILES notation for 4,7-dimethylindol-1-ium-2-one?
The canonical SMILES for 4,7-dimethylindol-1-ium-2-one is Cc1ccc(C)c2c1=CC(=O)[NH+]=2.
What is the InChIKey of 4,7-dimethylindol-1-ium-2-one?
The InChIKey is HLDADFMUDNJXCO-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H9NO/c1-6-3-4-7(2)10-8(6)5-9(12)11-10/h3-5H,1-2H3/p+1.
What are the key properties of 4,7-dimethylindol-1-ium-2-one?
4,7-dimethylindol-1-ium-2-one has a molecular weight of 160.20 g/mol, XLogP of -1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethylindol-1-ium-2-one is sourced from PubChem (CID 142362216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).