5-propoxy-2,3-dihydroisoindol-1-one

C11H13NO2 — CID 158874479

IUPAC5-propoxy-2,3-dihydroisoindol-1-one
SMILESCCCOc1ccc2c(c1)CNC2=O
InChIInChI=1S/C11H13NO2/c1-2-5-14-9-3-4-10-8(6-9)7-12-11(10)13/h3-4,6H,2,5,7H2,1H3,(H,12,13)
InChIKeyUXKKTESYCVNJID-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.72
Rot. Bonds3

About 5-propoxy-2,3-dihydroisoindol-1-one

5-propoxy-2,3-dihydroisoindol-1-one (PubChem CID 158874479) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-propoxy-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-propoxy-2,3-dihydroisoindol-1-one
PubChem CID158874479
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name5-propoxy-2,3-dihydroisoindol-1-one
SMILESCCCOc1ccc2c(c1)CNC2=O
InChIInChI=1S/C11H13NO2/c1-2-5-14-9-3-4-10-8(6-9)7-12-11(10)13/h3-4,6H,2,5,7H2,1H3,(H,12,13)
InChIKeyUXKKTESYCVNJID-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-propoxy-2,3-dihydroisoindol-1-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 5-propoxy-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-propoxy-2,3-dihydroisoindol-1-one (CID 158874479) is 5-propoxy-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-propoxy-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-propoxy-2,3-dihydroisoindol-1-one is CCCOc1ccc2c(c1)CNC2=O.
What is the InChIKey of 5-propoxy-2,3-dihydroisoindol-1-one?
The InChIKey is UXKKTESYCVNJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-5-14-9-3-4-10-8(6-9)7-12-11(10)13/h3-4,6H,2,5,7H2,1H3,(H,12,13).
What are the key properties of 5-propoxy-2,3-dihydroisoindol-1-one?
5-propoxy-2,3-dihydroisoindol-1-one has a molecular weight of 191.23 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propoxy-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 158874479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).