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

C7H11N — CID 42634985

IUPAC(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene
SMILESCC1(C)[C@@H]2CN=C[C@@H]21
InChIInChI=1S/C7H11N/c1-7(2)5-3-8-4-6(5)7/h3,5-6H,4H2,1-2H3/t5-,6+/m0/s1
InChIKeyLJCZYRLHQVSPNR-NTSWFWBYSA-N
MW109.17 g/mol
LogP1.34
Rot. Bonds

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

(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene (PubChem CID 42634985) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene.

Molecular Properties

Compound Name(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene
PubChem CID42634985
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene
SMILESCC1(C)[C@@H]2CN=C[C@@H]21
InChIInChI=1S/C7H11N/c1-7(2)5-3-8-4-6(5)7/h3,5-6H,4H2,1-2H3/t5-,6+/m0/s1
InChIKeyLJCZYRLHQVSPNR-NTSWFWBYSA-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 (1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene?
The IUPAC name of (1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene (CID 42634985) is (1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene.
What is the SMILES notation for (1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene?
The canonical SMILES for (1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene is CC1(C)[C@@H]2CN=C[C@@H]21.
What is the InChIKey of (1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene?
The InChIKey is LJCZYRLHQVSPNR-NTSWFWBYSA-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+/m0/s1.
What are the key properties of (1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene?
(1S,5R)-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 (1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene is sourced from PubChem (CID 42634985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).