2-azabicyclo[1.1.0]but-1-ene

C3H3N — CID 175297792

IUPAC2-azabicyclo[1.1.0]but-1-ene
SMILESC1C2=NC12
InChIInChI=1S/C3H3N/c1-2-3(1)4-2/h2H,1H2
InChIKeyAIXUUJVHBDMJKS-UHFFFAOYSA-N
MW53.06 g/mol
LogP0.21
Rot. Bonds

About 2-azabicyclo[1.1.0]but-1-ene

2-azabicyclo[1.1.0]but-1-ene (PubChem CID 175297792) has the molecular formula C3H3N and a molecular weight of 53.06 g/mol. Its IUPAC name is 2-azabicyclo[1.1.0]but-1-ene.

Molecular Properties

Compound Name2-azabicyclo[1.1.0]but-1-ene
PubChem CID175297792
Molecular FormulaC3H3N
Molecular Weight53.06 g/mol
Exact Mass53.03
IUPAC Name2-azabicyclo[1.1.0]but-1-ene
SMILESC1C2=NC12
InChIInChI=1S/C3H3N/c1-2-3(1)4-2/h2H,1H2
InChIKeyAIXUUJVHBDMJKS-UHFFFAOYSA-N
XLogP0.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50053.06
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 102481349
(4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
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(1S,5S,6S)-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine
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2,4-dimethyl-4,5-dihydro-1,3-oxazin-6-one
CID 134526764
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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[1.1.0]but-1-ene?
The IUPAC name of 2-azabicyclo[1.1.0]but-1-ene (CID 175297792) is 2-azabicyclo[1.1.0]but-1-ene.
What is the SMILES notation for 2-azabicyclo[1.1.0]but-1-ene?
The canonical SMILES for 2-azabicyclo[1.1.0]but-1-ene is C1C2=NC12.
What is the InChIKey of 2-azabicyclo[1.1.0]but-1-ene?
The InChIKey is AIXUUJVHBDMJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N/c1-2-3(1)4-2/h2H,1H2.
What are the key properties of 2-azabicyclo[1.1.0]but-1-ene?
2-azabicyclo[1.1.0]but-1-ene has a molecular weight of 53.06 g/mol, XLogP of 0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[1.1.0]but-1-ene is sourced from PubChem (CID 175297792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).