3-methoxyindol-2-one

C9H7NO2 — CID 141311287

IUPAC3-methoxyindol-2-one
SMILESCOC1=c2ccccc2=NC1=O
InChIInChI=1S/C9H7NO2/c1-12-8-6-4-2-3-5-7(6)10-9(8)11/h2-5H,1H3
InChIKeyXBZOSMWIVFTITF-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.40
Rot. Bonds1

About 3-methoxyindol-2-one

3-methoxyindol-2-one (PubChem CID 141311287) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 3-methoxyindol-2-one.

Molecular Properties

Compound Name3-methoxyindol-2-one
PubChem CID141311287
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name3-methoxyindol-2-one
SMILESCOC1=c2ccccc2=NC1=O
InChIInChI=1S/C9H7NO2/c1-12-8-6-4-2-3-5-7(6)10-9(8)11/h2-5H,1H3
InChIKeyXBZOSMWIVFTITF-UHFFFAOYSA-N
XLogP-0.40
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 ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methoxyindol-2-ylidene)methanone
CID 20508739
3-(1-chloro-2-fluoroethyl)indol-2-one
CID 175017063
3-(1H-pyrrole-2-carbonyl)indol-2-one
CID 70386379
3-[4-(trifluoromethyl)phenyl]indol-2-one
CID 142783918
4-(2-oxoindol-3-yl)benzoic acid
CID 175545285
3-[(4-hydroxyphenyl)diazenyl]indol-2-one
CID 137203331
8,10,23,25-tetrazapentacyclo[24.4.0.02,7.011,16.017,22]triaconta-1,3,5,7,10,12,14,16,18,20,22,25,27,29-tetradecaene-9,24-dithione
CID 85284439
(4aZ,6E,10aZ,12E)-6,12-dichlorobenzo[c][1,5]benzodiazocine
CID 15961548
ethyl 2-methylideneindole-3-carboxylate
CID 123224411
3-methyl-2-methylideneindole
CID 91485891
2,3-dimethoxynaphthalene-1,4-dione;ethane
CID 144726564
3-methylpyrimido[4,5-b]indole-2,4-dione
CID 78179440

Frequently Asked Questions

What is the IUPAC name of 3-methoxyindol-2-one?
The IUPAC name of 3-methoxyindol-2-one (CID 141311287) is 3-methoxyindol-2-one.
What is the SMILES notation for 3-methoxyindol-2-one?
The canonical SMILES for 3-methoxyindol-2-one is COC1=c2ccccc2=NC1=O.
What is the InChIKey of 3-methoxyindol-2-one?
The InChIKey is XBZOSMWIVFTITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c1-12-8-6-4-2-3-5-7(6)10-9(8)11/h2-5H,1H3.
What are the key properties of 3-methoxyindol-2-one?
3-methoxyindol-2-one has a molecular weight of 161.16 g/mol, XLogP of -0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyindol-2-one is sourced from PubChem (CID 141311287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).