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

C10H12N2O2 — CID 117275638

IUPAC6-amino-4-methoxy-1-methyl-3H-indol-2-one
SMILESCOc1cc(N)cc2c1CC(=O)N2C
InChIInChI=1S/C10H12N2O2/c1-12-8-3-6(11)4-9(14-2)7(8)5-10(12)13/h3-4H,5,11H2,1-2H3
InChIKeyHXMFYUMLEAOMSX-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.80
Rot. Bonds1

About 6-amino-4-methoxy-1-methyl-3H-indol-2-one

6-amino-4-methoxy-1-methyl-3H-indol-2-one (PubChem CID 117275638) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 6-amino-4-methoxy-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name6-amino-4-methoxy-1-methyl-3H-indol-2-one
PubChem CID117275638
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name6-amino-4-methoxy-1-methyl-3H-indol-2-one
SMILESCOc1cc(N)cc2c1CC(=O)N2C
InChIInChI=1S/C10H12N2O2/c1-12-8-3-6(11)4-9(14-2)7(8)5-10(12)13/h3-4H,5,11H2,1-2H3
InChIKeyHXMFYUMLEAOMSX-UHFFFAOYSA-N
XLogP0.80
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methoxy-1-methyl-3H-indol-2-one?
The IUPAC name of 6-amino-4-methoxy-1-methyl-3H-indol-2-one (CID 117275638) is 6-amino-4-methoxy-1-methyl-3H-indol-2-one.
What is the SMILES notation for 6-amino-4-methoxy-1-methyl-3H-indol-2-one?
The canonical SMILES for 6-amino-4-methoxy-1-methyl-3H-indol-2-one is COc1cc(N)cc2c1CC(=O)N2C.
What is the InChIKey of 6-amino-4-methoxy-1-methyl-3H-indol-2-one?
The InChIKey is HXMFYUMLEAOMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-12-8-3-6(11)4-9(14-2)7(8)5-10(12)13/h3-4H,5,11H2,1-2H3.
What are the key properties of 6-amino-4-methoxy-1-methyl-3H-indol-2-one?
6-amino-4-methoxy-1-methyl-3H-indol-2-one has a molecular weight of 192.22 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methoxy-1-methyl-3H-indol-2-one is sourced from PubChem (CID 117275638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).