5-methoxyindol-2-one

C9H7NO2 — CID 23212395

IUPAC5-methoxyindol-2-one
SMILESCOc1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C9H7NO2/c1-12-7-2-3-8-6(4-7)5-9(11)10-8/h2-5H,1H3
InChIKeyXVNRCKAGJNMGRR-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.36
Rot. Bonds1

About 5-methoxyindol-2-one

5-methoxyindol-2-one (PubChem CID 23212395) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 5-methoxyindol-2-one.

Molecular Properties

Compound Name5-methoxyindol-2-one
PubChem CID23212395
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name5-methoxyindol-2-one
SMILESCOc1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C9H7NO2/c1-12-7-2-3-8-6(4-7)5-9(11)10-8/h2-5H,1H3
InChIKeyXVNRCKAGJNMGRR-UHFFFAOYSA-N
XLogP-0.36
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Hydroxy indole2-one
CID 19068933
5-(Trifluoromethoxy)indol-2-one
CID 71776005
3-Methoxy-carbonylindole
CID 20508739
Methyl 2-oxoindole-6-carboxylate
CID 53400341
2h-Furo[3,2-c]quinolin-4-one
CID 88322838
2,6-Indolequinone
CID 136652242
5-(2,2,2-Trifluoroethoxy)indol-2-one
CID 23212390
7-Fluoro-5-methoxyindol-2-one
CID 175467488
3,5-Dimethylfuro[3,2-g]quinolin-7-one
CID 129782358
Furo[3,2-g]quinolin-7-one
CID 129869574
5-Methoxybenzimidazol-2-one
CID 20074343
6-Methoxybenzazepin-2-one
CID 20137812

Frequently Asked Questions

What is the IUPAC name of 5-methoxyindol-2-one?
The IUPAC name of 5-methoxyindol-2-one (CID 23212395) is 5-methoxyindol-2-one.
What is the SMILES notation for 5-methoxyindol-2-one?
The canonical SMILES for 5-methoxyindol-2-one is COc1ccc2c(c1)=CC(=O)N=2.
What is the InChIKey of 5-methoxyindol-2-one?
The InChIKey is XVNRCKAGJNMGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c1-12-7-2-3-8-6(4-7)5-9(11)10-8/h2-5H,1H3.
What are the key properties of 5-methoxyindol-2-one?
5-methoxyindol-2-one has a molecular weight of 161.16 g/mol, XLogP of -0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyindol-2-one is sourced from PubChem (CID 23212395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).