spiro[1,2-dihydroindene-3,2'-pyrrolidine]-2-carbonitrile

C13H14N2 — CID 5248997

IUPACspiro[1,2-dihydroindene-3,2'-pyrrolidine]-2-carbonitrile
SMILESN#CC1Cc2ccccc2C12CCCN2
InChIInChI=1S/C13H14N2/c14-9-11-8-10-4-1-2-5-12(10)13(11)6-3-7-15-13/h1-2,4-5,11,15H,3,6-8H2
InChIKeyWAAXHHXMAOLDCY-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.96
Rot. Bonds

About spiro[1,2-dihydroindene-3,2'-pyrrolidine]-2-carbonitrile

spiro[1,2-dihydroindene-3,2'-pyrrolidine]-2-carbonitrile (PubChem CID 5248997) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is spiro[1,2-dihydroindene-3,2'-pyrrolidine]-2-carbonitrile.

Molecular Properties

Compound Namespiro[1,2-dihydroindene-3,2'-pyrrolidine]-2-carbonitrile
PubChem CID5248997
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Namespiro[1,2-dihydroindene-3,2'-pyrrolidine]-2-carbonitrile
SMILESN#CC1Cc2ccccc2C12CCCN2
InChIInChI=1S/C13H14N2/c14-9-11-8-10-4-1-2-5-12(10)13(11)6-3-7-15-13/h1-2,4-5,11,15H,3,6-8H2
InChIKeyWAAXHHXMAOLDCY-UHFFFAOYSA-N
XLogP1.96
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[1,2-dihydroindene-3,2'-pyrrolidine]-2-carbonitrile?
The IUPAC name of spiro[1,2-dihydroindene-3,2'-pyrrolidine]-2-carbonitrile (CID 5248997) is spiro[1,2-dihydroindene-3,2'-pyrrolidine]-2-carbonitrile.
What is the SMILES notation for spiro[1,2-dihydroindene-3,2'-pyrrolidine]-2-carbonitrile?
The canonical SMILES for spiro[1,2-dihydroindene-3,2'-pyrrolidine]-2-carbonitrile is N#CC1Cc2ccccc2C12CCCN2.
What is the InChIKey of spiro[1,2-dihydroindene-3,2'-pyrrolidine]-2-carbonitrile?
The InChIKey is WAAXHHXMAOLDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c14-9-11-8-10-4-1-2-5-12(10)13(11)6-3-7-15-13/h1-2,4-5,11,15H,3,6-8H2.
What are the key properties of spiro[1,2-dihydroindene-3,2'-pyrrolidine]-2-carbonitrile?
spiro[1,2-dihydroindene-3,2'-pyrrolidine]-2-carbonitrile has a molecular weight of 198.27 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2-dihydroindene-3,2'-pyrrolidine]-2-carbonitrile is sourced from PubChem (CID 5248997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).