8-methyl-3-(6-pyrrolidin-1-ylnaphthalen-2-yl)-8-azabicyclo[3.2.1]oct-2-ene

C22H26N2 — CID 22143387

IUPAC8-methyl-3-(6-pyrrolidin-1-ylnaphthalen-2-yl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESCN1C2C=C(c3ccc4cc(N5CCCC5)ccc4c3)CC1CC2
InChIInChI=1S/C22H26N2/c1-23-20-8-9-21(23)15-19(14-20)17-4-5-18-13-22(7-6-16(18)12-17)24-10-2-3-11-24/h4-7,12-14,20-21H,2-3,8-11,15H2,1H3
InChIKeyDBJJTTAZAJNSDT-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.69
Rot. Bonds2

About 8-methyl-3-(6-pyrrolidin-1-ylnaphthalen-2-yl)-8-azabicyclo[3.2.1]oct-2-ene

8-methyl-3-(6-pyrrolidin-1-ylnaphthalen-2-yl)-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 22143387) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 8-methyl-3-(6-pyrrolidin-1-ylnaphthalen-2-yl)-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name8-methyl-3-(6-pyrrolidin-1-ylnaphthalen-2-yl)-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID22143387
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Name8-methyl-3-(6-pyrrolidin-1-ylnaphthalen-2-yl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESCN1C2C=C(c3ccc4cc(N5CCCC5)ccc4c3)CC1CC2
InChIInChI=1S/C22H26N2/c1-23-20-8-9-21(23)15-19(14-20)17-4-5-18-13-22(7-6-16(18)12-17)24-10-2-3-11-24/h4-7,12-14,20-21H,2-3,8-11,15H2,1H3
InChIKeyDBJJTTAZAJNSDT-UHFFFAOYSA-N
XLogP4.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(6-pyrrolidin-1-ylnaphthalen-2-yl)-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 8-methyl-3-(6-pyrrolidin-1-ylnaphthalen-2-yl)-8-azabicyclo[3.2.1]oct-2-ene (CID 22143387) is 8-methyl-3-(6-pyrrolidin-1-ylnaphthalen-2-yl)-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 8-methyl-3-(6-pyrrolidin-1-ylnaphthalen-2-yl)-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 8-methyl-3-(6-pyrrolidin-1-ylnaphthalen-2-yl)-8-azabicyclo[3.2.1]oct-2-ene is CN1C2C=C(c3ccc4cc(N5CCCC5)ccc4c3)CC1CC2.
What is the InChIKey of 8-methyl-3-(6-pyrrolidin-1-ylnaphthalen-2-yl)-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is DBJJTTAZAJNSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/c1-23-20-8-9-21(23)15-19(14-20)17-4-5-18-13-22(7-6-16(18)12-17)24-10-2-3-11-24/h4-7,12-14,20-21H,2-3,8-11,15H2,1H3.
What are the key properties of 8-methyl-3-(6-pyrrolidin-1-ylnaphthalen-2-yl)-8-azabicyclo[3.2.1]oct-2-ene?
8-methyl-3-(6-pyrrolidin-1-ylnaphthalen-2-yl)-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 318.46 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(6-pyrrolidin-1-ylnaphthalen-2-yl)-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 22143387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).