(5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene

C8H13N — CID 70161906

IUPAC(5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
SMILESCN1C2C=CC[C@@H]1CC2
InChIInChI=1S/C8H13N/c1-9-7-3-2-4-8(9)6-5-7/h2-3,7-8H,4-6H2,1H3/t7?,8-/m1/s1
InChIKeyRNHFKJBXKFGPIY-BRFYHDHCSA-N
MW123.20 g/mol
LogP1.41
Rot. Bonds

About (5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene

(5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 70161906) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name(5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID70161906
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
SMILESCN1C2C=CC[C@@H]1CC2
InChIInChI=1S/C8H13N/c1-9-7-3-2-4-8(9)6-5-7/h2-3,7-8H,4-6H2,1H3/t7?,8-/m1/s1
InChIKeyRNHFKJBXKFGPIY-BRFYHDHCSA-N
XLogP1.41
TPSA3.24 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 ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of (5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene (CID 70161906) is (5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for (5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for (5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene is CN1C2C=CC[C@@H]1CC2.
What is the InChIKey of (5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is RNHFKJBXKFGPIY-BRFYHDHCSA-N. The full InChI is InChI=1S/C8H13N/c1-9-7-3-2-4-8(9)6-5-7/h2-3,7-8H,4-6H2,1H3/t7?,8-/m1/s1.
What are the key properties of (5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
(5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 123.20 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 70161906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).