1-diazoethylcyclopropane

C5H8N2 — CID 15207454

IUPAC1-diazoethylcyclopropane
SMILESCC(=[N+]=[N-])C1CC1
InChIInChI=1S/C5H8N2/c1-4(7-6)5-2-3-5/h5H,2-3H2,1H3
InChIKeyXWNKPGQIOGCOOC-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.09
Rot. Bonds1

About 1-diazoethylcyclopropane

1-diazoethylcyclopropane (PubChem CID 15207454) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 1-diazoethylcyclopropane.

Molecular Properties

Compound Name1-diazoethylcyclopropane
PubChem CID15207454
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name1-diazoethylcyclopropane
SMILESCC(=[N+]=[N-])C1CC1
InChIInChI=1S/C5H8N2/c1-4(7-6)5-2-3-5/h5H,2-3H2,1H3
InChIKeyXWNKPGQIOGCOOC-UHFFFAOYSA-N
XLogP1.09
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-diazoethylcyclopropane?
The IUPAC name of 1-diazoethylcyclopropane (CID 15207454) is 1-diazoethylcyclopropane.
What is the SMILES notation for 1-diazoethylcyclopropane?
The canonical SMILES for 1-diazoethylcyclopropane is CC(=[N+]=[N-])C1CC1.
What is the InChIKey of 1-diazoethylcyclopropane?
The InChIKey is XWNKPGQIOGCOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-4(7-6)5-2-3-5/h5H,2-3H2,1H3.
What are the key properties of 1-diazoethylcyclopropane?
1-diazoethylcyclopropane has a molecular weight of 96.13 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazoethylcyclopropane is sourced from PubChem (CID 15207454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).