(1S,5R)-2-azabicyclo[3.2.0]hept-6-ene

C6H9N — CID 639338

IUPAC(1S,5R)-2-azabicyclo[3.2.0]hept-6-ene
SMILESC1=C[C@H]2CCN[C@@H]12
InChIInChI=1S/C6H9N/c1-2-6-5(1)3-4-7-6/h1-2,5-7H,3-4H2/t5-,6-/m0/s1
InChIKeySMUKNIYCTSOICZ-WDSKDSINSA-N
MW95.14 g/mol
LogP0.53
Rot. Bonds

About (1S,5R)-2-azabicyclo[3.2.0]hept-6-ene

(1S,5R)-2-azabicyclo[3.2.0]hept-6-ene (PubChem CID 639338) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is (1S,5R)-2-azabicyclo[3.2.0]hept-6-ene.

Molecular Properties

Compound Name(1S,5R)-2-azabicyclo[3.2.0]hept-6-ene
PubChem CID639338
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name(1S,5R)-2-azabicyclo[3.2.0]hept-6-ene
SMILESC1=C[C@H]2CCN[C@@H]12
InChIInChI=1S/C6H9N/c1-2-6-5(1)3-4-7-6/h1-2,5-7H,3-4H2/t5-,6-/m0/s1
InChIKeySMUKNIYCTSOICZ-WDSKDSINSA-N
XLogP0.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Azabicyclo[2.2.1]hept-5-ene
CID 138805
2-Azabicyclo[3.2.0]hept-6-ene
CID 14815768
2-[(Z)-prop-1-enyl]pyrrolidine
CID 24777096
2-[(E)-prop-1-enyl]pyrrolidine
CID 55288476
2-Azabicyclo(2.2.1)hept-5-ene hydrochloride
CID 12729804
(1R,4S)-2-Azabicyclo[2.2.1]hept-5-ene hydrochloride
CID 71743646
2,3,3a,7a-tetrahydro-1H-indole
CID 15821030
2,3,3a,4,5,7a-Hexahydroindole
CID 18426479
6-Azabicyclo[3.2.1]oct-3-ene
CID 57766358
3-(Fluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene
CID 126762669
(3aR,7aS)-2,3,3a,4,5,7a-hexahydro-1H-indol-1-ium
CID 135038907
rel-(1S,4R)-2-Azabicyclo[2.2.1]hept-5-ene hydrochloride
CID 71743647

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-2-azabicyclo[3.2.0]hept-6-ene?
The IUPAC name of (1S,5R)-2-azabicyclo[3.2.0]hept-6-ene (CID 639338) is (1S,5R)-2-azabicyclo[3.2.0]hept-6-ene.
What is the SMILES notation for (1S,5R)-2-azabicyclo[3.2.0]hept-6-ene?
The canonical SMILES for (1S,5R)-2-azabicyclo[3.2.0]hept-6-ene is C1=C[C@H]2CCN[C@@H]12.
What is the InChIKey of (1S,5R)-2-azabicyclo[3.2.0]hept-6-ene?
The InChIKey is SMUKNIYCTSOICZ-WDSKDSINSA-N. The full InChI is InChI=1S/C6H9N/c1-2-6-5(1)3-4-7-6/h1-2,5-7H,3-4H2/t5-,6-/m0/s1.
What are the key properties of (1S,5R)-2-azabicyclo[3.2.0]hept-6-ene?
(1S,5R)-2-azabicyclo[3.2.0]hept-6-ene has a molecular weight of 95.14 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-2-azabicyclo[3.2.0]hept-6-ene is sourced from PubChem (CID 639338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).