2-(1-pyrrolidin-3-ylethyl)-1,3-dihydroisoindole

C14H20N2 — CID 105470484

IUPAC2-(1-pyrrolidin-3-ylethyl)-1,3-dihydroisoindole
SMILESCC(C1CCNC1)N1Cc2ccccc2C1
InChIInChI=1S/C14H20N2/c1-11(12-6-7-15-8-12)16-9-13-4-2-3-5-14(13)10-16/h2-5,11-12,15H,6-10H2,1H3
InChIKeyBCWUHIGYRVGYDK-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.00
Rot. Bonds2

About 2-(1-pyrrolidin-3-ylethyl)-1,3-dihydroisoindole

2-(1-pyrrolidin-3-ylethyl)-1,3-dihydroisoindole (PubChem CID 105470484) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-(1-pyrrolidin-3-ylethyl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(1-pyrrolidin-3-ylethyl)-1,3-dihydroisoindole
PubChem CID105470484
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-(1-pyrrolidin-3-ylethyl)-1,3-dihydroisoindole
SMILESCC(C1CCNC1)N1Cc2ccccc2C1
InChIInChI=1S/C14H20N2/c1-11(12-6-7-15-8-12)16-9-13-4-2-3-5-14(13)10-16/h2-5,11-12,15H,6-10H2,1H3
InChIKeyBCWUHIGYRVGYDK-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-pyrrolidin-3-ylethyl)-1,3-dihydroisoindole?
The IUPAC name of 2-(1-pyrrolidin-3-ylethyl)-1,3-dihydroisoindole (CID 105470484) is 2-(1-pyrrolidin-3-ylethyl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-(1-pyrrolidin-3-ylethyl)-1,3-dihydroisoindole?
The canonical SMILES for 2-(1-pyrrolidin-3-ylethyl)-1,3-dihydroisoindole is CC(C1CCNC1)N1Cc2ccccc2C1.
What is the InChIKey of 2-(1-pyrrolidin-3-ylethyl)-1,3-dihydroisoindole?
The InChIKey is BCWUHIGYRVGYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-11(12-6-7-15-8-12)16-9-13-4-2-3-5-14(13)10-16/h2-5,11-12,15H,6-10H2,1H3.
What are the key properties of 2-(1-pyrrolidin-3-ylethyl)-1,3-dihydroisoindole?
2-(1-pyrrolidin-3-ylethyl)-1,3-dihydroisoindole has a molecular weight of 216.33 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrrolidin-3-ylethyl)-1,3-dihydroisoindole is sourced from PubChem (CID 105470484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).