2,3,3,5-tetramethylisoindol-1-one

C12H15NO — CID 58289825

IUPAC2,3,3,5-tetramethylisoindol-1-one
SMILESCc1ccc2c(c1)C(C)(C)N(C)C2=O
InChIInChI=1S/C12H15NO/c1-8-5-6-9-10(7-8)12(2,3)13(4)11(9)14/h5-7H,1-4H3
InChIKeyGGPYFSZWOJYWFR-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.32
Rot. Bonds

About 2,3,3,5-tetramethylisoindol-1-one

2,3,3,5-tetramethylisoindol-1-one (PubChem CID 58289825) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,3,3,5-tetramethylisoindol-1-one.

Molecular Properties

Compound Name2,3,3,5-tetramethylisoindol-1-one
PubChem CID58289825
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2,3,3,5-tetramethylisoindol-1-one
SMILESCc1ccc2c(c1)C(C)(C)N(C)C2=O
InChIInChI=1S/C12H15NO/c1-8-5-6-9-10(7-8)12(2,3)13(4)11(9)14/h5-7H,1-4H3
InChIKeyGGPYFSZWOJYWFR-UHFFFAOYSA-N
XLogP2.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,5-tetramethylisoindol-1-one?
The IUPAC name of 2,3,3,5-tetramethylisoindol-1-one (CID 58289825) is 2,3,3,5-tetramethylisoindol-1-one.
What is the SMILES notation for 2,3,3,5-tetramethylisoindol-1-one?
The canonical SMILES for 2,3,3,5-tetramethylisoindol-1-one is Cc1ccc2c(c1)C(C)(C)N(C)C2=O.
What is the InChIKey of 2,3,3,5-tetramethylisoindol-1-one?
The InChIKey is GGPYFSZWOJYWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8-5-6-9-10(7-8)12(2,3)13(4)11(9)14/h5-7H,1-4H3.
What are the key properties of 2,3,3,5-tetramethylisoindol-1-one?
2,3,3,5-tetramethylisoindol-1-one has a molecular weight of 189.26 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,5-tetramethylisoindol-1-one is sourced from PubChem (CID 58289825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).