1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one

C11H15NO — CID 12813892

IUPAC1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one
SMILESCCN1C(=O)C(C)=C2CCCC=C21
InChIInChI=1S/C11H15NO/c1-3-12-10-7-5-4-6-9(10)8(2)11(12)13/h7H,3-6H2,1-2H3
InChIKeyRSLJPESMHLIGJD-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.23
Rot. Bonds1

About 1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one

1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one (PubChem CID 12813892) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one.

Molecular Properties

Compound Name1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one
PubChem CID12813892
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one
SMILESCCN1C(=O)C(C)=C2CCCC=C21
InChIInChI=1S/C11H15NO/c1-3-12-10-7-5-4-6-9(10)8(2)11(12)13/h7H,3-6H2,1-2H3
InChIKeyRSLJPESMHLIGJD-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one?
The IUPAC name of 1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one (CID 12813892) is 1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one.
What is the SMILES notation for 1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one?
The canonical SMILES for 1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one is CCN1C(=O)C(C)=C2CCCC=C21.
What is the InChIKey of 1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one?
The InChIKey is RSLJPESMHLIGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-12-10-7-5-4-6-9(10)8(2)11(12)13/h7H,3-6H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one?
1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one has a molecular weight of 177.25 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one is sourced from PubChem (CID 12813892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).