2-ethyl-1-azabicyclo[1.1.0]butane

C5H9N — CID 147893042

IUPAC2-ethyl-1-azabicyclo[1.1.0]butane
SMILESCCC1C2CN12
InChIInChI=1S/C5H9N/c1-2-4-5-3-6(4)5/h4-5H,2-3H2,1H3
InChIKeyICTJZXSQFGNCCX-UHFFFAOYSA-N
MW83.13 g/mol
LogP0.46
Rot. Bonds1

About 2-ethyl-1-azabicyclo[1.1.0]butane

2-ethyl-1-azabicyclo[1.1.0]butane (PubChem CID 147893042) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is 2-ethyl-1-azabicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-ethyl-1-azabicyclo[1.1.0]butane
PubChem CID147893042
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Name2-ethyl-1-azabicyclo[1.1.0]butane
SMILESCCC1C2CN12
InChIInChI=1S/C5H9N/c1-2-4-5-3-6(4)5/h4-5H,2-3H2,1H3
InChIKeyICTJZXSQFGNCCX-UHFFFAOYSA-N
XLogP0.46
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 50.46
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-azabicyclo[1.1.0]butane?
The IUPAC name of 2-ethyl-1-azabicyclo[1.1.0]butane (CID 147893042) is 2-ethyl-1-azabicyclo[1.1.0]butane.
What is the SMILES notation for 2-ethyl-1-azabicyclo[1.1.0]butane?
The canonical SMILES for 2-ethyl-1-azabicyclo[1.1.0]butane is CCC1C2CN12.
What is the InChIKey of 2-ethyl-1-azabicyclo[1.1.0]butane?
The InChIKey is ICTJZXSQFGNCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N/c1-2-4-5-3-6(4)5/h4-5H,2-3H2,1H3.
What are the key properties of 2-ethyl-1-azabicyclo[1.1.0]butane?
2-ethyl-1-azabicyclo[1.1.0]butane has a molecular weight of 83.13 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-azabicyclo[1.1.0]butane is sourced from PubChem (CID 147893042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).