3-pyrrolidin-3-yl-1H-isoindole

C12H14N2 — CID 23541437

IUPAC3-pyrrolidin-3-yl-1H-isoindole
SMILESc1ccc2c(c1)CN=C2C1CCNC1
InChIInChI=1S/C12H14N2/c1-2-4-11-9(3-1)8-14-12(11)10-5-6-13-7-10/h1-4,10,13H,5-8H2
InChIKeyJZJSKHSYBIIOSB-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.60
Rot. Bonds1

About 3-pyrrolidin-3-yl-1H-isoindole

3-pyrrolidin-3-yl-1H-isoindole (PubChem CID 23541437) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 3-pyrrolidin-3-yl-1H-isoindole.

Molecular Properties

Compound Name3-pyrrolidin-3-yl-1H-isoindole
PubChem CID23541437
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name3-pyrrolidin-3-yl-1H-isoindole
SMILESc1ccc2c(c1)CN=C2C1CCNC1
InChIInChI=1S/C12H14N2/c1-2-4-11-9(3-1)8-14-12(11)10-5-6-13-7-10/h1-4,10,13H,5-8H2
InChIKeyJZJSKHSYBIIOSB-UHFFFAOYSA-N
XLogP1.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-pyrrolidin-3-yl-1H-isoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;3-piperidin-4-yl-1H-isoindole
CID 91063171
1-piperidin-4-yl-3H-isoquinolin-4-one
CID 58188833
ethane;3-phenylpyrrolidine
CID 91032726
3-[2-(fluoromethyl)phenyl]pyrrolidine
CID 84657076
(3R)-3-(2-bromophenyl)pyrrolidine
CID 95447261
3-[4-fluoro-3-(2-fluorophenyl)phenyl]pyrrolidine
CID 117401616
4-(2-bromophenyl)-2-pyrrolidin-3-ylpyrimidine
CID 116898844
2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)phenol
CID 84693433
3-methyl-1H-isoindole
CID 12518873
2-pyrrolidin-3-ylaniline;dihydrochloride
CID 139593328
(3R)-3-[2-(4-tert-butylphenyl)phenyl]pyrrolidine
CID 143821603
3-(2-fluorophenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917759

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-3-yl-1H-isoindole?
The IUPAC name of 3-pyrrolidin-3-yl-1H-isoindole (CID 23541437) is 3-pyrrolidin-3-yl-1H-isoindole.
What is the SMILES notation for 3-pyrrolidin-3-yl-1H-isoindole?
The canonical SMILES for 3-pyrrolidin-3-yl-1H-isoindole is c1ccc2c(c1)CN=C2C1CCNC1.
What is the InChIKey of 3-pyrrolidin-3-yl-1H-isoindole?
The InChIKey is JZJSKHSYBIIOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-4-11-9(3-1)8-14-12(11)10-5-6-13-7-10/h1-4,10,13H,5-8H2.
What are the key properties of 3-pyrrolidin-3-yl-1H-isoindole?
3-pyrrolidin-3-yl-1H-isoindole has a molecular weight of 186.26 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-yl-1H-isoindole is sourced from PubChem (CID 23541437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).