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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one
CID 82172222
5-tert-butyl-3-ethyl-1,3-dihydroindol-2-one
CID 106987056
3-ethyl-5-(1-hydroxy-2-methylpropyl)-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173135
3-hydroxy-5-propan-2-yl-1,3-dihydroindol-2-one
CID 61361238
7-ethyl-2-sulfanyl-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 88522570
5-(1-amino-2-methylpropyl)-3,7-diethyl-1,3-dihydroindol-2-one
CID 82172974
7-chloro-3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one
CID 82173752
3-butyl-5-methoxy-1,3-dihydroindol-2-one
CID 103846259
5-tert-butyl-3-propyl-1,3-dihydroindol-2-one
CID 106986527
5-fluoro-3-(hydroxymethyl)-1,3-dihydroindol-2-one
CID 131358029
3-ethyl-5-[(2-fluorophenyl)-hydroxymethyl]-7-methyl-1,3-dihydroindol-2-one
CID 82172845
3-ethyl-1,3,5,6-tetrahydrocyclopenta[f]indole-2,7-dione
CID 70456027

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).