8-methyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]oct-2-ene

C12H20N2 — CID 119054149

IUPAC8-methyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]oct-2-ene
SMILESCN1C2C=C(N3CCCC3)CC1CC2
InChIInChI=1S/C12H20N2/c1-13-10-4-5-11(13)9-12(8-10)14-6-2-3-7-14/h8,10-11H,2-7,9H2,1H3
InChIKeyDUXYXBATUBJINL-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.83
Rot. Bonds1

About 8-methyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]oct-2-ene

8-methyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 119054149) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 8-methyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name8-methyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID119054149
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name8-methyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]oct-2-ene
SMILESCN1C2C=C(N3CCCC3)CC1CC2
InChIInChI=1S/C12H20N2/c1-13-10-4-5-11(13)9-12(8-10)14-6-2-3-7-14/h8,10-11H,2-7,9H2,1H3
InChIKeyDUXYXBATUBJINL-UHFFFAOYSA-N
XLogP1.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tropenluft
CID 69022383
1-(6-Pyrrolidin-1-yl-1-cyclohexenyl)-pyrrolidine
CID 14315943
7-Pyrrolidin-1-yl-1,2,3,5,8,8a-hexahydroindolizine
CID 15275033
7-Pyrrolidin-1-yl-1,2,3,5,6,8a-hexahydroindolizine
CID 101989170
8-Methyl-8-azabicyclo[3.2.1]oct-1-ene
CID 18371985
3-Isocyano-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
CID 20708718
N,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine
CID 89138871
1-(Cyclohexen-1-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 123774253
1-(2-Pyrrolidin-1-ylcyclohept-2-en-1-yl)pyrrolidine
CID 140347966
8-Methyl-8-azabicyclo[3.2.1]oct-1-en-3-amine
CID 154239507
(5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-amine
CID 156888252
1-(Cyclohexen-1-yl)pyrrolidine;1-(cyclopenten-1-yl)pyrrolidine;methane
CID 158056364

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 8-methyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]oct-2-ene (CID 119054149) is 8-methyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 8-methyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 8-methyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]oct-2-ene is CN1C2C=C(N3CCCC3)CC1CC2.
What is the InChIKey of 8-methyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is DUXYXBATUBJINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-13-10-4-5-11(13)9-12(8-10)14-6-2-3-7-14/h8,10-11H,2-7,9H2,1H3.
What are the key properties of 8-methyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]oct-2-ene?
8-methyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 192.31 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 119054149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).