1-methyl-1-azoniabicyclo[2.1.0]pent-2-ene

C5H8N+ — CID 147010891

IUPAC1-methyl-1-azoniabicyclo[2.1.0]pent-2-ene
SMILESC[N+]12C=CC1C2
InChIInChI=1S/C5H8N/c1-6-3-2-5(6)4-6/h2-3,5H,4H2,1H3/q+1
InChIKeyZBYQCBYXMFDPPB-UHFFFAOYSA-N
MW82.13 g/mol
LogP0.34
Rot. Bonds

About 1-methyl-1-azoniabicyclo[2.1.0]pent-2-ene

1-methyl-1-azoniabicyclo[2.1.0]pent-2-ene (PubChem CID 147010891) has the molecular formula C5H8N+ and a molecular weight of 82.13 g/mol. Its IUPAC name is 1-methyl-1-azoniabicyclo[2.1.0]pent-2-ene.

Molecular Properties

Compound Name1-methyl-1-azoniabicyclo[2.1.0]pent-2-ene
PubChem CID147010891
Molecular FormulaC5H8N+
Molecular Weight82.13 g/mol
Exact Mass82.07
IUPAC Name1-methyl-1-azoniabicyclo[2.1.0]pent-2-ene
SMILESC[N+]12C=CC1C2
InChIInChI=1S/C5H8N/c1-6-3-2-5(6)4-6/h2-3,5H,4H2,1H3/q+1
InChIKeyZBYQCBYXMFDPPB-UHFFFAOYSA-N
XLogP0.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.13
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-azoniabicyclo[2.1.0]pent-2-ene?
The IUPAC name of 1-methyl-1-azoniabicyclo[2.1.0]pent-2-ene (CID 147010891) is 1-methyl-1-azoniabicyclo[2.1.0]pent-2-ene.
What is the SMILES notation for 1-methyl-1-azoniabicyclo[2.1.0]pent-2-ene?
The canonical SMILES for 1-methyl-1-azoniabicyclo[2.1.0]pent-2-ene is C[N+]12C=CC1C2.
What is the InChIKey of 1-methyl-1-azoniabicyclo[2.1.0]pent-2-ene?
The InChIKey is ZBYQCBYXMFDPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N/c1-6-3-2-5(6)4-6/h2-3,5H,4H2,1H3/q+1.
What are the key properties of 1-methyl-1-azoniabicyclo[2.1.0]pent-2-ene?
1-methyl-1-azoniabicyclo[2.1.0]pent-2-ene has a molecular weight of 82.13 g/mol, XLogP of 0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-azoniabicyclo[2.1.0]pent-2-ene is sourced from PubChem (CID 147010891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).