5-chloro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzonitrile

C19H17ClN2O — CID 133413282

IUPAC5-chloro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzonitrile
SMILESN#Cc1cc(Cl)ccc1N1CCOC2(CCc3ccccc32)C1
InChIInChI=1S/C19H17ClN2O/c20-16-5-6-18(15(11-16)12-21)22-9-10-23-19(13-22)8-7-14-3-1-2-4-17(14)19/h1-6,11H,7-10,13H2
InChIKeyONXVXHOSPLTYDU-UHFFFAOYSA-N
MW324.81 g/mol
LogP3.89
Rot. Bonds1

About 5-chloro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzonitrile

5-chloro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzonitrile (PubChem CID 133413282) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is 5-chloro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzonitrile.

Molecular Properties

Compound Name5-chloro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzonitrile
PubChem CID133413282
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name5-chloro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzonitrile
SMILESN#Cc1cc(Cl)ccc1N1CCOC2(CCc3ccccc32)C1
InChIInChI=1S/C19H17ClN2O/c20-16-5-6-18(15(11-16)12-21)22-9-10-23-19(13-22)8-7-14-3-1-2-4-17(14)19/h1-6,11H,7-10,13H2
InChIKeyONXVXHOSPLTYDU-UHFFFAOYSA-N
XLogP3.89
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzonitrile?
The IUPAC name of 5-chloro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzonitrile (CID 133413282) is 5-chloro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzonitrile.
What is the SMILES notation for 5-chloro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzonitrile?
The canonical SMILES for 5-chloro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzonitrile is N#Cc1cc(Cl)ccc1N1CCOC2(CCc3ccccc32)C1.
What is the InChIKey of 5-chloro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzonitrile?
The InChIKey is ONXVXHOSPLTYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c20-16-5-6-18(15(11-16)12-21)22-9-10-23-19(13-22)8-7-14-3-1-2-4-17(14)19/h1-6,11H,7-10,13H2.
What are the key properties of 5-chloro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzonitrile?
5-chloro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzonitrile has a molecular weight of 324.81 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylbenzonitrile is sourced from PubChem (CID 133413282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).