2-ethyl-3-hydroxy-4,5,6,7-tetramethyl-3H-isoindol-1-one

C14H19NO2 — CID 91510408

IUPAC2-ethyl-3-hydroxy-4,5,6,7-tetramethyl-3H-isoindol-1-one
SMILESCCN1C(=O)c2c(C)c(C)c(C)c(C)c2C1O
InChIInChI=1S/C14H19NO2/c1-6-15-13(16)11-9(4)7(2)8(3)10(5)12(11)14(15)17/h13,16H,6H2,1-5H3
InChIKeyNNGZHBNTUCSLMB-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.39
Rot. Bonds1

About 2-ethyl-3-hydroxy-4,5,6,7-tetramethyl-3H-isoindol-1-one

2-ethyl-3-hydroxy-4,5,6,7-tetramethyl-3H-isoindol-1-one (PubChem CID 91510408) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-ethyl-3-hydroxy-4,5,6,7-tetramethyl-3H-isoindol-1-one.

Molecular Properties

Compound Name2-ethyl-3-hydroxy-4,5,6,7-tetramethyl-3H-isoindol-1-one
PubChem CID91510408
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-ethyl-3-hydroxy-4,5,6,7-tetramethyl-3H-isoindol-1-one
SMILESCCN1C(=O)c2c(C)c(C)c(C)c(C)c2C1O
InChIInChI=1S/C14H19NO2/c1-6-15-13(16)11-9(4)7(2)8(3)10(5)12(11)14(15)17/h13,16H,6H2,1-5H3
InChIKeyNNGZHBNTUCSLMB-UHFFFAOYSA-N
XLogP2.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxy-4,5,6,7-tetramethyl-3H-isoindol-1-one?
The IUPAC name of 2-ethyl-3-hydroxy-4,5,6,7-tetramethyl-3H-isoindol-1-one (CID 91510408) is 2-ethyl-3-hydroxy-4,5,6,7-tetramethyl-3H-isoindol-1-one.
What is the SMILES notation for 2-ethyl-3-hydroxy-4,5,6,7-tetramethyl-3H-isoindol-1-one?
The canonical SMILES for 2-ethyl-3-hydroxy-4,5,6,7-tetramethyl-3H-isoindol-1-one is CCN1C(=O)c2c(C)c(C)c(C)c(C)c2C1O.
What is the InChIKey of 2-ethyl-3-hydroxy-4,5,6,7-tetramethyl-3H-isoindol-1-one?
The InChIKey is NNGZHBNTUCSLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-6-15-13(16)11-9(4)7(2)8(3)10(5)12(11)14(15)17/h13,16H,6H2,1-5H3.
What are the key properties of 2-ethyl-3-hydroxy-4,5,6,7-tetramethyl-3H-isoindol-1-one?
2-ethyl-3-hydroxy-4,5,6,7-tetramethyl-3H-isoindol-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxy-4,5,6,7-tetramethyl-3H-isoindol-1-one is sourced from PubChem (CID 91510408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).