3-ethyl-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one

C14H19NO2 — CID 82172223

IUPAC3-ethyl-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2ccc(C(O)C(C)C)cc21
InChIInChI=1S/C14H19NO2/c1-4-10-11-7-9(13(16)8(2)3)5-6-12(11)15-14(10)17/h5-8,10,13,16H,4H2,1-3H3,(H,15,17)
InChIKeyULJXVACZBDZGLR-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.82
Rot. Bonds3

About 3-ethyl-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one

3-ethyl-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one (PubChem CID 82172223) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-ethyl-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-ethyl-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
PubChem CID82172223
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-ethyl-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2ccc(C(O)C(C)C)cc21
InChIInChI=1S/C14H19NO2/c1-4-10-11-7-9(13(16)8(2)3)5-6-12(11)15-14(10)17/h5-8,10,13,16H,4H2,1-3H3,(H,15,17)
InChIKeyULJXVACZBDZGLR-UHFFFAOYSA-N
XLogP2.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-ethyl-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one (CID 82172223) is 3-ethyl-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-ethyl-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-ethyl-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one is CCC1C(=O)Nc2ccc(C(O)C(C)C)cc21.
What is the InChIKey of 3-ethyl-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one?
The InChIKey is ULJXVACZBDZGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-10-11-7-9(13(16)8(2)3)5-6-12(11)15-14(10)17/h5-8,10,13,16H,4H2,1-3H3,(H,15,17).
What are the key properties of 3-ethyl-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one?
3-ethyl-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 82172223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).