5-naphthalen-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride

C17H20ClN — CID 155345745

IUPAC5-naphthalen-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride
SMILESCl.c1ccc2cc(C3CC4CNCC4C3)ccc2c1
InChIInChI=1S/C17H19N.ClH/c1-2-4-13-7-14(6-5-12(13)3-1)15-8-16-10-18-11-17(16)9-15;/h1-7,15-18H,8-11H2;1H
InChIKeyYFQIYBBKLQZJNW-UHFFFAOYSA-N
MW273.81 g/mol
LogP3.97
Rot. Bonds1

About 5-naphthalen-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride

5-naphthalen-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride (PubChem CID 155345745) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 5-naphthalen-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride.

Molecular Properties

Compound Name5-naphthalen-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride
PubChem CID155345745
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name5-naphthalen-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride
SMILESCl.c1ccc2cc(C3CC4CNCC4C3)ccc2c1
InChIInChI=1S/C17H19N.ClH/c1-2-4-13-7-14(6-5-12(13)3-1)15-8-16-10-18-11-17(16)9-15;/h1-7,15-18H,8-11H2;1H
InChIKeyYFQIYBBKLQZJNW-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride?
The IUPAC name of 5-naphthalen-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride (CID 155345745) is 5-naphthalen-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride.
What is the SMILES notation for 5-naphthalen-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride?
The canonical SMILES for 5-naphthalen-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride is Cl.c1ccc2cc(C3CC4CNCC4C3)ccc2c1.
What is the InChIKey of 5-naphthalen-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride?
The InChIKey is YFQIYBBKLQZJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N.ClH/c1-2-4-13-7-14(6-5-12(13)3-1)15-8-16-10-18-11-17(16)9-15;/h1-7,15-18H,8-11H2;1H.
What are the key properties of 5-naphthalen-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride?
5-naphthalen-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride has a molecular weight of 273.81 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride is sourced from PubChem (CID 155345745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).