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

C11H13NO — CID 122533875

IUPAC4-ethyl-1-methyl-3H-indol-2-one
SMILESCCc1cccc2c1CC(=O)N2C
InChIInChI=1S/C11H13NO/c1-3-8-5-4-6-10-9(8)7-11(13)12(10)2/h4-6H,3,7H2,1-2H3
InChIKeyNFYNDTUNUXOTDN-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.77
Rot. Bonds1

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

4-ethyl-1-methyl-3H-indol-2-one (PubChem CID 122533875) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-ethyl-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name4-ethyl-1-methyl-3H-indol-2-one
PubChem CID122533875
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name4-ethyl-1-methyl-3H-indol-2-one
SMILESCCc1cccc2c1CC(=O)N2C
InChIInChI=1S/C11H13NO/c1-3-8-5-4-6-10-9(8)7-11(13)12(10)2/h4-6H,3,7H2,1-2H3
InChIKeyNFYNDTUNUXOTDN-UHFFFAOYSA-N
XLogP1.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-3H-indol-2-one?
The IUPAC name of 4-ethyl-1-methyl-3H-indol-2-one (CID 122533875) is 4-ethyl-1-methyl-3H-indol-2-one.
What is the SMILES notation for 4-ethyl-1-methyl-3H-indol-2-one?
The canonical SMILES for 4-ethyl-1-methyl-3H-indol-2-one is CCc1cccc2c1CC(=O)N2C.
What is the InChIKey of 4-ethyl-1-methyl-3H-indol-2-one?
The InChIKey is NFYNDTUNUXOTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-8-5-4-6-10-9(8)7-11(13)12(10)2/h4-6H,3,7H2,1-2H3.
What are the key properties of 4-ethyl-1-methyl-3H-indol-2-one?
4-ethyl-1-methyl-3H-indol-2-one has a molecular weight of 175.23 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-3H-indol-2-one is sourced from PubChem (CID 122533875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).