1-ethyl-6,7-dimethyl-3H-indol-2-one

C12H15NO — CID 14003261

IUPAC1-ethyl-6,7-dimethyl-3H-indol-2-one
SMILESCCN1C(=O)Cc2ccc(C)c(C)c21
InChIInChI=1S/C12H15NO/c1-4-13-11(14)7-10-6-5-8(2)9(3)12(10)13/h5-6H,4,7H2,1-3H3
InChIKeyMHMFUEASCLVKLJ-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.21
Rot. Bonds1

About 1-ethyl-6,7-dimethyl-3H-indol-2-one

1-ethyl-6,7-dimethyl-3H-indol-2-one (PubChem CID 14003261) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-ethyl-6,7-dimethyl-3H-indol-2-one.

Molecular Properties

Compound Name1-ethyl-6,7-dimethyl-3H-indol-2-one
PubChem CID14003261
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-ethyl-6,7-dimethyl-3H-indol-2-one
SMILESCCN1C(=O)Cc2ccc(C)c(C)c21
InChIInChI=1S/C12H15NO/c1-4-13-11(14)7-10-6-5-8(2)9(3)12(10)13/h5-6H,4,7H2,1-3H3
InChIKeyMHMFUEASCLVKLJ-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6,7-dimethyl-3H-indol-2-one?
The IUPAC name of 1-ethyl-6,7-dimethyl-3H-indol-2-one (CID 14003261) is 1-ethyl-6,7-dimethyl-3H-indol-2-one.
What is the SMILES notation for 1-ethyl-6,7-dimethyl-3H-indol-2-one?
The canonical SMILES for 1-ethyl-6,7-dimethyl-3H-indol-2-one is CCN1C(=O)Cc2ccc(C)c(C)c21.
What is the InChIKey of 1-ethyl-6,7-dimethyl-3H-indol-2-one?
The InChIKey is MHMFUEASCLVKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-4-13-11(14)7-10-6-5-8(2)9(3)12(10)13/h5-6H,4,7H2,1-3H3.
What are the key properties of 1-ethyl-6,7-dimethyl-3H-indol-2-one?
1-ethyl-6,7-dimethyl-3H-indol-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6,7-dimethyl-3H-indol-2-one is sourced from PubChem (CID 14003261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).