9-methyl-3-pyrrolidin-1-yl-9-azabicyclo[3.3.1]non-2-ene

C13H22N2 — CID 59679464

IUPAC9-methyl-3-pyrrolidin-1-yl-9-azabicyclo[3.3.1]non-2-ene
SMILESCN1C2C=C(N3CCCC3)CC1CCC2
InChIInChI=1S/C13H22N2/c1-14-11-5-4-6-12(14)10-13(9-11)15-7-2-3-8-15/h9,11-12H,2-8,10H2,1H3
InChIKeyWJAXNOZTWASCAW-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.22
Rot. Bonds1

About 9-methyl-3-pyrrolidin-1-yl-9-azabicyclo[3.3.1]non-2-ene

9-methyl-3-pyrrolidin-1-yl-9-azabicyclo[3.3.1]non-2-ene (PubChem CID 59679464) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 9-methyl-3-pyrrolidin-1-yl-9-azabicyclo[3.3.1]non-2-ene.

Molecular Properties

Compound Name9-methyl-3-pyrrolidin-1-yl-9-azabicyclo[3.3.1]non-2-ene
PubChem CID59679464
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name9-methyl-3-pyrrolidin-1-yl-9-azabicyclo[3.3.1]non-2-ene
SMILESCN1C2C=C(N3CCCC3)CC1CCC2
InChIInChI=1S/C13H22N2/c1-14-11-5-4-6-12(14)10-13(9-11)15-7-2-3-8-15/h9,11-12H,2-8,10H2,1H3
InChIKeyWJAXNOZTWASCAW-UHFFFAOYSA-N
XLogP2.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-pyrrolidin-1-yl-9-azabicyclo[3.3.1]non-2-ene?
The IUPAC name of 9-methyl-3-pyrrolidin-1-yl-9-azabicyclo[3.3.1]non-2-ene (CID 59679464) is 9-methyl-3-pyrrolidin-1-yl-9-azabicyclo[3.3.1]non-2-ene.
What is the SMILES notation for 9-methyl-3-pyrrolidin-1-yl-9-azabicyclo[3.3.1]non-2-ene?
The canonical SMILES for 9-methyl-3-pyrrolidin-1-yl-9-azabicyclo[3.3.1]non-2-ene is CN1C2C=C(N3CCCC3)CC1CCC2.
What is the InChIKey of 9-methyl-3-pyrrolidin-1-yl-9-azabicyclo[3.3.1]non-2-ene?
The InChIKey is WJAXNOZTWASCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-14-11-5-4-6-12(14)10-13(9-11)15-7-2-3-8-15/h9,11-12H,2-8,10H2,1H3.
What are the key properties of 9-methyl-3-pyrrolidin-1-yl-9-azabicyclo[3.3.1]non-2-ene?
9-methyl-3-pyrrolidin-1-yl-9-azabicyclo[3.3.1]non-2-ene has a molecular weight of 206.33 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-pyrrolidin-1-yl-9-azabicyclo[3.3.1]non-2-ene is sourced from PubChem (CID 59679464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).