2,6-dimethyl-1-azabicyclo[3.1.0]hex-3-ene

C7H11N — CID 89431678

IUPAC2,6-dimethyl-1-azabicyclo[3.1.0]hex-3-ene
SMILESCC1C=CC2C(C)N12
InChIInChI=1S/C7H11N/c1-5-3-4-7-6(2)8(5)7/h3-7H,1-2H3
InChIKeyHKRYWWFKEAARDP-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.02
Rot. Bonds

About 2,6-dimethyl-1-azabicyclo[3.1.0]hex-3-ene

2,6-dimethyl-1-azabicyclo[3.1.0]hex-3-ene (PubChem CID 89431678) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2,6-dimethyl-1-azabicyclo[3.1.0]hex-3-ene.

Molecular Properties

Compound Name2,6-dimethyl-1-azabicyclo[3.1.0]hex-3-ene
PubChem CID89431678
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2,6-dimethyl-1-azabicyclo[3.1.0]hex-3-ene
SMILESCC1C=CC2C(C)N12
InChIInChI=1S/C7H11N/c1-5-3-4-7-6(2)8(5)7/h3-7H,1-2H3
InChIKeyHKRYWWFKEAARDP-UHFFFAOYSA-N
XLogP1.02
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-azabicyclo[3.1.0]hex-3-ene?
The IUPAC name of 2,6-dimethyl-1-azabicyclo[3.1.0]hex-3-ene (CID 89431678) is 2,6-dimethyl-1-azabicyclo[3.1.0]hex-3-ene.
What is the SMILES notation for 2,6-dimethyl-1-azabicyclo[3.1.0]hex-3-ene?
The canonical SMILES for 2,6-dimethyl-1-azabicyclo[3.1.0]hex-3-ene is CC1C=CC2C(C)N12.
What is the InChIKey of 2,6-dimethyl-1-azabicyclo[3.1.0]hex-3-ene?
The InChIKey is HKRYWWFKEAARDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-5-3-4-7-6(2)8(5)7/h3-7H,1-2H3.
What are the key properties of 2,6-dimethyl-1-azabicyclo[3.1.0]hex-3-ene?
2,6-dimethyl-1-azabicyclo[3.1.0]hex-3-ene has a molecular weight of 109.17 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-azabicyclo[3.1.0]hex-3-ene is sourced from PubChem (CID 89431678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).