1-ethyl-5-(1-hydroxypropyl)-3H-indol-2-one

C13H17NO2 — CID 82172045

IUPAC1-ethyl-5-(1-hydroxypropyl)-3H-indol-2-one
SMILESCCC(O)c1ccc2c(c1)CC(=O)N2CC
InChIInChI=1S/C13H17NO2/c1-3-12(15)9-5-6-11-10(7-9)8-13(16)14(11)4-2/h5-7,12,15H,3-4,8H2,1-2H3
InChIKeyUMKDZFZNVBLWMV-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.04
Rot. Bonds3

About 1-ethyl-5-(1-hydroxypropyl)-3H-indol-2-one

1-ethyl-5-(1-hydroxypropyl)-3H-indol-2-one (PubChem CID 82172045) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-ethyl-5-(1-hydroxypropyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-ethyl-5-(1-hydroxypropyl)-3H-indol-2-one
PubChem CID82172045
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-ethyl-5-(1-hydroxypropyl)-3H-indol-2-one
SMILESCCC(O)c1ccc2c(c1)CC(=O)N2CC
InChIInChI=1S/C13H17NO2/c1-3-12(15)9-5-6-11-10(7-9)8-13(16)14(11)4-2/h5-7,12,15H,3-4,8H2,1-2H3
InChIKeyUMKDZFZNVBLWMV-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-5-(1-hydroxypropyl)-3H-indol-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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(1-hydroxypropyl)-3H-indol-2-one?
The IUPAC name of 1-ethyl-5-(1-hydroxypropyl)-3H-indol-2-one (CID 82172045) is 1-ethyl-5-(1-hydroxypropyl)-3H-indol-2-one.
What is the SMILES notation for 1-ethyl-5-(1-hydroxypropyl)-3H-indol-2-one?
The canonical SMILES for 1-ethyl-5-(1-hydroxypropyl)-3H-indol-2-one is CCC(O)c1ccc2c(c1)CC(=O)N2CC.
What is the InChIKey of 1-ethyl-5-(1-hydroxypropyl)-3H-indol-2-one?
The InChIKey is UMKDZFZNVBLWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-12(15)9-5-6-11-10(7-9)8-13(16)14(11)4-2/h5-7,12,15H,3-4,8H2,1-2H3.
What are the key properties of 1-ethyl-5-(1-hydroxypropyl)-3H-indol-2-one?
1-ethyl-5-(1-hydroxypropyl)-3H-indol-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(1-hydroxypropyl)-3H-indol-2-one is sourced from PubChem (CID 82172045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).