7-amino-6-ethyl-4-methyl-1,3-dihydroindol-2-one

C11H14N2O — CID 90089168

IUPAC7-amino-6-ethyl-4-methyl-1,3-dihydroindol-2-one
SMILESCCc1cc(C)c2c(c1N)NC(=O)C2
InChIInChI=1S/C11H14N2O/c1-3-7-4-6(2)8-5-9(14)13-11(8)10(7)12/h4H,3,5,12H2,1-2H3,(H,13,14)
InChIKeyHBNJOWYVDBXXOJ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.63
Rot. Bonds1

About 7-amino-6-ethyl-4-methyl-1,3-dihydroindol-2-one

7-amino-6-ethyl-4-methyl-1,3-dihydroindol-2-one (PubChem CID 90089168) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 7-amino-6-ethyl-4-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-amino-6-ethyl-4-methyl-1,3-dihydroindol-2-one
PubChem CID90089168
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name7-amino-6-ethyl-4-methyl-1,3-dihydroindol-2-one
SMILESCCc1cc(C)c2c(c1N)NC(=O)C2
InChIInChI=1S/C11H14N2O/c1-3-7-4-6(2)8-5-9(14)13-11(8)10(7)12/h4H,3,5,12H2,1-2H3,(H,13,14)
InChIKeyHBNJOWYVDBXXOJ-UHFFFAOYSA-N
XLogP1.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-ethyl-4-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-amino-6-ethyl-4-methyl-1,3-dihydroindol-2-one (CID 90089168) is 7-amino-6-ethyl-4-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-amino-6-ethyl-4-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-amino-6-ethyl-4-methyl-1,3-dihydroindol-2-one is CCc1cc(C)c2c(c1N)NC(=O)C2.
What is the InChIKey of 7-amino-6-ethyl-4-methyl-1,3-dihydroindol-2-one?
The InChIKey is HBNJOWYVDBXXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-7-4-6(2)8-5-9(14)13-11(8)10(7)12/h4H,3,5,12H2,1-2H3,(H,13,14).
What are the key properties of 7-amino-6-ethyl-4-methyl-1,3-dihydroindol-2-one?
7-amino-6-ethyl-4-methyl-1,3-dihydroindol-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-ethyl-4-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 90089168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).