(3R,5S)-3-methyl-8-azabicyclo[3.2.1]oct-1(8)-ene

C8H13N — CID 163646465

IUPAC(3R,5S)-3-methyl-8-azabicyclo[3.2.1]oct-1(8)-ene
SMILESC[C@H]1CC2=N[C@@H](CC2)C1
InChIInChI=1S/C8H13N/c1-6-4-7-2-3-8(5-6)9-7/h6-7H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyIIQCSBHOMICSAF-RQJHMYQMSA-N
MW123.20 g/mol
LogP2.02
Rot. Bonds

About (3R,5S)-3-methyl-8-azabicyclo[3.2.1]oct-1(8)-ene

(3R,5S)-3-methyl-8-azabicyclo[3.2.1]oct-1(8)-ene (PubChem CID 163646465) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (3R,5S)-3-methyl-8-azabicyclo[3.2.1]oct-1(8)-ene.

Molecular Properties

Compound Name(3R,5S)-3-methyl-8-azabicyclo[3.2.1]oct-1(8)-ene
PubChem CID163646465
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(3R,5S)-3-methyl-8-azabicyclo[3.2.1]oct-1(8)-ene
SMILESC[C@H]1CC2=N[C@@H](CC2)C1
InChIInChI=1S/C8H13N/c1-6-4-7-2-3-8(5-6)9-7/h6-7H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyIIQCSBHOMICSAF-RQJHMYQMSA-N
XLogP2.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-methyl-8-azabicyclo[3.2.1]oct-1(8)-ene?
The IUPAC name of (3R,5S)-3-methyl-8-azabicyclo[3.2.1]oct-1(8)-ene (CID 163646465) is (3R,5S)-3-methyl-8-azabicyclo[3.2.1]oct-1(8)-ene.
What is the SMILES notation for (3R,5S)-3-methyl-8-azabicyclo[3.2.1]oct-1(8)-ene?
The canonical SMILES for (3R,5S)-3-methyl-8-azabicyclo[3.2.1]oct-1(8)-ene is C[C@H]1CC2=N[C@@H](CC2)C1.
What is the InChIKey of (3R,5S)-3-methyl-8-azabicyclo[3.2.1]oct-1(8)-ene?
The InChIKey is IIQCSBHOMICSAF-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H13N/c1-6-4-7-2-3-8(5-6)9-7/h6-7H,2-5H2,1H3/t6-,7+/m1/s1.
What are the key properties of (3R,5S)-3-methyl-8-azabicyclo[3.2.1]oct-1(8)-ene?
(3R,5S)-3-methyl-8-azabicyclo[3.2.1]oct-1(8)-ene has a molecular weight of 123.20 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-methyl-8-azabicyclo[3.2.1]oct-1(8)-ene is sourced from PubChem (CID 163646465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).