(1S,5S)-2-methyl-2-azabicyclo[3.3.1]non-7-ene

C9H15N — CID 90677950

IUPAC(1S,5S)-2-methyl-2-azabicyclo[3.3.1]non-7-ene
SMILESCN1CC[C@@H]2CC=C[C@@H]1C2
InChIInChI=1S/C9H15N/c1-10-6-5-8-3-2-4-9(10)7-8/h2,4,8-9H,3,5-7H2,1H3/t8-,9+/m0/s1
InChIKeyXHXMABUBDZPUCX-DTWKUNHWSA-N
MW137.23 g/mol
LogP1.66
Rot. Bonds

About (1S,5S)-2-methyl-2-azabicyclo[3.3.1]non-7-ene

(1S,5S)-2-methyl-2-azabicyclo[3.3.1]non-7-ene (PubChem CID 90677950) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (1S,5S)-2-methyl-2-azabicyclo[3.3.1]non-7-ene.

Molecular Properties

Compound Name(1S,5S)-2-methyl-2-azabicyclo[3.3.1]non-7-ene
PubChem CID90677950
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(1S,5S)-2-methyl-2-azabicyclo[3.3.1]non-7-ene
SMILESCN1CC[C@@H]2CC=C[C@@H]1C2
InChIInChI=1S/C9H15N/c1-10-6-5-8-3-2-4-9(10)7-8/h2,4,8-9H,3,5-7H2,1H3/t8-,9+/m0/s1
InChIKeyXHXMABUBDZPUCX-DTWKUNHWSA-N
XLogP1.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.66
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 (1S,5S)-2-methyl-2-azabicyclo[3.3.1]non-7-ene?
The IUPAC name of (1S,5S)-2-methyl-2-azabicyclo[3.3.1]non-7-ene (CID 90677950) is (1S,5S)-2-methyl-2-azabicyclo[3.3.1]non-7-ene.
What is the SMILES notation for (1S,5S)-2-methyl-2-azabicyclo[3.3.1]non-7-ene?
The canonical SMILES for (1S,5S)-2-methyl-2-azabicyclo[3.3.1]non-7-ene is CN1CC[C@@H]2CC=C[C@@H]1C2.
What is the InChIKey of (1S,5S)-2-methyl-2-azabicyclo[3.3.1]non-7-ene?
The InChIKey is XHXMABUBDZPUCX-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H15N/c1-10-6-5-8-3-2-4-9(10)7-8/h2,4,8-9H,3,5-7H2,1H3/t8-,9+/m0/s1.
What are the key properties of (1S,5S)-2-methyl-2-azabicyclo[3.3.1]non-7-ene?
(1S,5S)-2-methyl-2-azabicyclo[3.3.1]non-7-ene has a molecular weight of 137.23 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-2-methyl-2-azabicyclo[3.3.1]non-7-ene is sourced from PubChem (CID 90677950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).