2-methyl-4-pyrrolidin-3-yloxy-1,3-dihydroisoindole

C13H18N2O — CID 84683934

IUPAC2-methyl-4-pyrrolidin-3-yloxy-1,3-dihydroisoindole
SMILESCN1Cc2cccc(OC3CCNC3)c2C1
InChIInChI=1S/C13H18N2O/c1-15-8-10-3-2-4-13(12(10)9-15)16-11-5-6-14-7-11/h2-4,11,14H,5-9H2,1H3
InChIKeyYKYRYWJXBWDIAB-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.37
Rot. Bonds2

About 2-methyl-4-pyrrolidin-3-yloxy-1,3-dihydroisoindole

2-methyl-4-pyrrolidin-3-yloxy-1,3-dihydroisoindole (PubChem CID 84683934) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-methyl-4-pyrrolidin-3-yloxy-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-methyl-4-pyrrolidin-3-yloxy-1,3-dihydroisoindole
PubChem CID84683934
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-methyl-4-pyrrolidin-3-yloxy-1,3-dihydroisoindole
SMILESCN1Cc2cccc(OC3CCNC3)c2C1
InChIInChI=1S/C13H18N2O/c1-15-8-10-3-2-4-13(12(10)9-15)16-11-5-6-14-7-11/h2-4,11,14H,5-9H2,1H3
InChIKeyYKYRYWJXBWDIAB-UHFFFAOYSA-N
XLogP1.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyrrolidin-3-yloxy-1,3-dihydroisoindole?
The IUPAC name of 2-methyl-4-pyrrolidin-3-yloxy-1,3-dihydroisoindole (CID 84683934) is 2-methyl-4-pyrrolidin-3-yloxy-1,3-dihydroisoindole.
What is the SMILES notation for 2-methyl-4-pyrrolidin-3-yloxy-1,3-dihydroisoindole?
The canonical SMILES for 2-methyl-4-pyrrolidin-3-yloxy-1,3-dihydroisoindole is CN1Cc2cccc(OC3CCNC3)c2C1.
What is the InChIKey of 2-methyl-4-pyrrolidin-3-yloxy-1,3-dihydroisoindole?
The InChIKey is YKYRYWJXBWDIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15-8-10-3-2-4-13(12(10)9-15)16-11-5-6-14-7-11/h2-4,11,14H,5-9H2,1H3.
What are the key properties of 2-methyl-4-pyrrolidin-3-yloxy-1,3-dihydroisoindole?
2-methyl-4-pyrrolidin-3-yloxy-1,3-dihydroisoindole has a molecular weight of 218.30 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyrrolidin-3-yloxy-1,3-dihydroisoindole is sourced from PubChem (CID 84683934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).