1-azabicyclo[2.1.0]pent-2-ene

C4H5N — CID 175274356

IUPAC1-azabicyclo[2.1.0]pent-2-ene
SMILESC1=CN2CC12
InChIInChI=1S/C4H5N/c1-2-5-3-4(1)5/h1-2,4H,3H2
InChIKeyGQMFQDQDJRHEDG-UHFFFAOYSA-N
MW67.09 g/mol
LogP0.20
Rot. Bonds

About 1-azabicyclo[2.1.0]pent-2-ene

1-azabicyclo[2.1.0]pent-2-ene (PubChem CID 175274356) has the molecular formula C4H5N and a molecular weight of 67.09 g/mol. Its IUPAC name is 1-azabicyclo[2.1.0]pent-2-ene.

Molecular Properties

Compound Name1-azabicyclo[2.1.0]pent-2-ene
PubChem CID175274356
Molecular FormulaC4H5N
Molecular Weight67.09 g/mol
Exact Mass67.04
IUPAC Name1-azabicyclo[2.1.0]pent-2-ene
SMILESC1=CN2CC12
InChIInChI=1S/C4H5N/c1-2-5-3-4(1)5/h1-2,4H,3H2
InChIKeyGQMFQDQDJRHEDG-UHFFFAOYSA-N
XLogP0.20
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50067.09
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.1.0]pent-2-ene?
The IUPAC name of 1-azabicyclo[2.1.0]pent-2-ene (CID 175274356) is 1-azabicyclo[2.1.0]pent-2-ene.
What is the SMILES notation for 1-azabicyclo[2.1.0]pent-2-ene?
The canonical SMILES for 1-azabicyclo[2.1.0]pent-2-ene is C1=CN2CC12.
What is the InChIKey of 1-azabicyclo[2.1.0]pent-2-ene?
The InChIKey is GQMFQDQDJRHEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N/c1-2-5-3-4(1)5/h1-2,4H,3H2.
What are the key properties of 1-azabicyclo[2.1.0]pent-2-ene?
1-azabicyclo[2.1.0]pent-2-ene has a molecular weight of 67.09 g/mol, XLogP of 0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.1.0]pent-2-ene is sourced from PubChem (CID 175274356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).