4-methoxy-1-methyl-3H-indol-2-one

C10H11NO2 — CID 12713031

IUPAC4-methoxy-1-methyl-3H-indol-2-one
SMILESCOc1cccc2c1CC(=O)N2C
InChIInChI=1S/C10H11NO2/c1-11-8-4-3-5-9(13-2)7(8)6-10(11)12/h3-5H,6H2,1-2H3
InChIKeyQRGVWBMIQHILSZ-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.21
Rot. Bonds1

About 4-methoxy-1-methyl-3H-indol-2-one

4-methoxy-1-methyl-3H-indol-2-one (PubChem CID 12713031) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 4-methoxy-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name4-methoxy-1-methyl-3H-indol-2-one
PubChem CID12713031
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name4-methoxy-1-methyl-3H-indol-2-one
SMILESCOc1cccc2c1CC(=O)N2C
InChIInChI=1S/C10H11NO2/c1-11-8-4-3-5-9(13-2)7(8)6-10(11)12/h3-5H,6H2,1-2H3
InChIKeyQRGVWBMIQHILSZ-UHFFFAOYSA-N
XLogP1.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-3H-indol-2-one?
The IUPAC name of 4-methoxy-1-methyl-3H-indol-2-one (CID 12713031) is 4-methoxy-1-methyl-3H-indol-2-one.
What is the SMILES notation for 4-methoxy-1-methyl-3H-indol-2-one?
The canonical SMILES for 4-methoxy-1-methyl-3H-indol-2-one is COc1cccc2c1CC(=O)N2C.
What is the InChIKey of 4-methoxy-1-methyl-3H-indol-2-one?
The InChIKey is QRGVWBMIQHILSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-11-8-4-3-5-9(13-2)7(8)6-10(11)12/h3-5H,6H2,1-2H3.
What are the key properties of 4-methoxy-1-methyl-3H-indol-2-one?
4-methoxy-1-methyl-3H-indol-2-one has a molecular weight of 177.20 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-3H-indol-2-one is sourced from PubChem (CID 12713031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).