(6R)-1-azabicyclo[4.1.0]hept-3-ene

C6H9N — CID 135029042

IUPAC(6R)-1-azabicyclo[4.1.0]hept-3-ene
SMILESC1=CCN2C[C@H]2C1
InChIInChI=1S/C6H9N/c1-2-4-7-5-6(7)3-1/h1-2,6H,3-5H2/t6-,7?/m1/s1
InChIKeyGNKGVQDUTDWLEW-ULUSZKPHSA-N
MW95.14 g/mol
LogP0.63
Rot. Bonds

About (6R)-1-azabicyclo[4.1.0]hept-3-ene

(6R)-1-azabicyclo[4.1.0]hept-3-ene (PubChem CID 135029042) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is (6R)-1-azabicyclo[4.1.0]hept-3-ene.

Molecular Properties

Compound Name(6R)-1-azabicyclo[4.1.0]hept-3-ene
PubChem CID135029042
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name(6R)-1-azabicyclo[4.1.0]hept-3-ene
SMILESC1=CCN2C[C@H]2C1
InChIInChI=1S/C6H9N/c1-2-4-7-5-6(7)3-1/h1-2,6H,3-5H2/t6-,7?/m1/s1
InChIKeyGNKGVQDUTDWLEW-ULUSZKPHSA-N
XLogP0.63
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 50.63
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 (6R)-1-azabicyclo[4.1.0]hept-3-ene?
The IUPAC name of (6R)-1-azabicyclo[4.1.0]hept-3-ene (CID 135029042) is (6R)-1-azabicyclo[4.1.0]hept-3-ene.
What is the SMILES notation for (6R)-1-azabicyclo[4.1.0]hept-3-ene?
The canonical SMILES for (6R)-1-azabicyclo[4.1.0]hept-3-ene is C1=CCN2C[C@H]2C1.
What is the InChIKey of (6R)-1-azabicyclo[4.1.0]hept-3-ene?
The InChIKey is GNKGVQDUTDWLEW-ULUSZKPHSA-N. The full InChI is InChI=1S/C6H9N/c1-2-4-7-5-6(7)3-1/h1-2,6H,3-5H2/t6-,7?/m1/s1.
What are the key properties of (6R)-1-azabicyclo[4.1.0]hept-3-ene?
(6R)-1-azabicyclo[4.1.0]hept-3-ene has a molecular weight of 95.14 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-azabicyclo[4.1.0]hept-3-ene is sourced from PubChem (CID 135029042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).