5-(1,3-dimethylpyrrolidin-3-yl)oxy-2,3-dihydro-1H-isoindole

C14H20N2O — CID 115075947

IUPAC5-(1,3-dimethylpyrrolidin-3-yl)oxy-2,3-dihydro-1H-isoindole
SMILESCN1CCC(C)(Oc2ccc3c(c2)CNC3)C1
InChIInChI=1S/C14H20N2O/c1-14(5-6-16(2)10-14)17-13-4-3-11-8-15-9-12(11)7-13/h3-4,7,15H,5-6,8-10H2,1-2H3
InChIKeyQOLPUDRTAWXVCL-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.76
Rot. Bonds2

About 5-(1,3-dimethylpyrrolidin-3-yl)oxy-2,3-dihydro-1H-isoindole

5-(1,3-dimethylpyrrolidin-3-yl)oxy-2,3-dihydro-1H-isoindole (PubChem CID 115075947) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-(1,3-dimethylpyrrolidin-3-yl)oxy-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name5-(1,3-dimethylpyrrolidin-3-yl)oxy-2,3-dihydro-1H-isoindole
PubChem CID115075947
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name5-(1,3-dimethylpyrrolidin-3-yl)oxy-2,3-dihydro-1H-isoindole
SMILESCN1CCC(C)(Oc2ccc3c(c2)CNC3)C1
InChIInChI=1S/C14H20N2O/c1-14(5-6-16(2)10-14)17-13-4-3-11-8-15-9-12(11)7-13/h3-4,7,15H,5-6,8-10H2,1-2H3
InChIKeyQOLPUDRTAWXVCL-UHFFFAOYSA-N
XLogP1.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1,3-dimethylpiperidin-3-yl)oxy-2,3-dihydro-1H-isoindole
CID 115076103
6-(1,3-dimethylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076401
5-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-isoindole
CID 115075958
3-(2,3-dihydro-1H-isoindol-5-yloxy)-3-methylthiolane 1,1-dioxide
CID 115075941
7-(1-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076487
6-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076299
7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076485
6-(1,4-dimethylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075243
6-(3-methyl-1-propan-2-ylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076405
7-(1,4-dimethylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075422
6-(1,3,3-trimethylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076434
5-[(1-methylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole
CID 115075931

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethylpyrrolidin-3-yl)oxy-2,3-dihydro-1H-isoindole?
The IUPAC name of 5-(1,3-dimethylpyrrolidin-3-yl)oxy-2,3-dihydro-1H-isoindole (CID 115075947) is 5-(1,3-dimethylpyrrolidin-3-yl)oxy-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 5-(1,3-dimethylpyrrolidin-3-yl)oxy-2,3-dihydro-1H-isoindole?
The canonical SMILES for 5-(1,3-dimethylpyrrolidin-3-yl)oxy-2,3-dihydro-1H-isoindole is CN1CCC(C)(Oc2ccc3c(c2)CNC3)C1.
What is the InChIKey of 5-(1,3-dimethylpyrrolidin-3-yl)oxy-2,3-dihydro-1H-isoindole?
The InChIKey is QOLPUDRTAWXVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(5-6-16(2)10-14)17-13-4-3-11-8-15-9-12(11)7-13/h3-4,7,15H,5-6,8-10H2,1-2H3.
What are the key properties of 5-(1,3-dimethylpyrrolidin-3-yl)oxy-2,3-dihydro-1H-isoindole?
5-(1,3-dimethylpyrrolidin-3-yl)oxy-2,3-dihydro-1H-isoindole has a molecular weight of 232.33 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dimethylpyrrolidin-3-yl)oxy-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 115075947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).