4-methyl-1-azabicyclo[2.1.0]pent-2-ene

C5H7N — CID 153068426

IUPAC4-methyl-1-azabicyclo[2.1.0]pent-2-ene
SMILESCC12C=CN1C2
InChIInChI=1S/C5H7N/c1-5-2-3-6(5)4-5/h2-3H,4H2,1H3
InChIKeyVKVXMTDFUSOPDA-UHFFFAOYSA-N
MW81.12 g/mol
LogP0.59
Rot. Bonds

About 4-methyl-1-azabicyclo[2.1.0]pent-2-ene

4-methyl-1-azabicyclo[2.1.0]pent-2-ene (PubChem CID 153068426) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol. Its IUPAC name is 4-methyl-1-azabicyclo[2.1.0]pent-2-ene.

Molecular Properties

Compound Name4-methyl-1-azabicyclo[2.1.0]pent-2-ene
PubChem CID153068426
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC Name4-methyl-1-azabicyclo[2.1.0]pent-2-ene
SMILESCC12C=CN1C2
InChIInChI=1S/C5H7N/c1-5-2-3-6(5)4-5/h2-3H,4H2,1H3
InChIKeyVKVXMTDFUSOPDA-UHFFFAOYSA-N
XLogP0.59
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.12
LogP ≤ 50.59
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

1-Methyl-1-azoniabicyclo[2.1.0]pent-2-ene
CID 147010891
1-Azabicyclo[2.1.0]pent-2-ene
CID 175274356

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-azabicyclo[2.1.0]pent-2-ene?
The IUPAC name of 4-methyl-1-azabicyclo[2.1.0]pent-2-ene (CID 153068426) is 4-methyl-1-azabicyclo[2.1.0]pent-2-ene.
What is the SMILES notation for 4-methyl-1-azabicyclo[2.1.0]pent-2-ene?
The canonical SMILES for 4-methyl-1-azabicyclo[2.1.0]pent-2-ene is CC12C=CN1C2.
What is the InChIKey of 4-methyl-1-azabicyclo[2.1.0]pent-2-ene?
The InChIKey is VKVXMTDFUSOPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N/c1-5-2-3-6(5)4-5/h2-3H,4H2,1H3.
What are the key properties of 4-methyl-1-azabicyclo[2.1.0]pent-2-ene?
4-methyl-1-azabicyclo[2.1.0]pent-2-ene has a molecular weight of 81.12 g/mol, XLogP of 0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-azabicyclo[2.1.0]pent-2-ene is sourced from PubChem (CID 153068426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).