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

C12H15NO — CID 80501041

IUPAC7-ethyl-3,3-dimethyl-1H-indol-2-one
SMILESCCc1cccc2c1NC(=O)C2(C)C
InChIInChI=1S/C12H15NO/c1-4-8-6-5-7-9-10(8)13-11(14)12(9,2)3/h5-7H,4H2,1-3H3,(H,13,14)
InChIKeyMUSZGKUYZIXGPM-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.48
Rot. Bonds1

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

7-ethyl-3,3-dimethyl-1H-indol-2-one (PubChem CID 80501041) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 7-ethyl-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name7-ethyl-3,3-dimethyl-1H-indol-2-one
PubChem CID80501041
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name7-ethyl-3,3-dimethyl-1H-indol-2-one
SMILESCCc1cccc2c1NC(=O)C2(C)C
InChIInChI=1S/C12H15NO/c1-4-8-6-5-7-9-10(8)13-11(14)12(9,2)3/h5-7H,4H2,1-3H3,(H,13,14)
InChIKeyMUSZGKUYZIXGPM-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 7-ethyl-3,3-dimethyl-1H-indol-2-one (CID 80501041) is 7-ethyl-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 7-ethyl-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 7-ethyl-3,3-dimethyl-1H-indol-2-one is CCc1cccc2c1NC(=O)C2(C)C.
What is the InChIKey of 7-ethyl-3,3-dimethyl-1H-indol-2-one?
The InChIKey is MUSZGKUYZIXGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-4-8-6-5-7-9-10(8)13-11(14)12(9,2)3/h5-7H,4H2,1-3H3,(H,13,14).
What are the key properties of 7-ethyl-3,3-dimethyl-1H-indol-2-one?
7-ethyl-3,3-dimethyl-1H-indol-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 80501041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).