(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene

C7H11N — CID 25111092

IUPAC(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene
SMILESCC1(C)[C@@H]2C=NC[C@@H]21
InChIInChI=1S/C7H11N/c1-7(2)5-3-8-4-6(5)7/h3,5-6H,4H2,1-2H3/t5-,6+/m1/s1
InChIKeyLJCZYRLHQVSPNR-RITPCOANSA-N
MW109.17 g/mol
LogP1.34
Rot. Bonds

About (1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene

(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene (PubChem CID 25111092) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene.

Molecular Properties

Compound Name(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene
PubChem CID25111092
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene
SMILESCC1(C)[C@@H]2C=NC[C@@H]21
InChIInChI=1S/C7H11N/c1-7(2)5-3-8-4-6(5)7/h3,5-6H,4H2,1-2H3/t5-,6+/m1/s1
InChIKeyLJCZYRLHQVSPNR-RITPCOANSA-N
XLogP1.34
TPSA12.36 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 ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene?
The IUPAC name of (1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene (CID 25111092) is (1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene.
What is the SMILES notation for (1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene?
The canonical SMILES for (1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene is CC1(C)[C@@H]2C=NC[C@@H]21.
What is the InChIKey of (1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene?
The InChIKey is LJCZYRLHQVSPNR-RITPCOANSA-N. The full InChI is InChI=1S/C7H11N/c1-7(2)5-3-8-4-6(5)7/h3,5-6H,4H2,1-2H3/t5-,6+/m1/s1.
What are the key properties of (1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene?
(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene has a molecular weight of 109.17 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene is sourced from PubChem (CID 25111092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).