aziridin-1-yl(ethylidene)borane

C4H8BN — CID 175634345

IUPACaziridin-1-yl(ethylidene)borane
SMILESC/C=B/N1CC1
InChIInChI=1S/C4H8BN/c1-2-5-6-3-4-6/h2H,3-4H2,1H3
InChIKeyCWMBSXXVVKORMH-UHFFFAOYSA-N
MW80.93 g/mol
LogP-0.26
Rot. Bonds1

About aziridin-1-yl(ethylidene)borane

aziridin-1-yl(ethylidene)borane (PubChem CID 175634345) has the molecular formula C4H8BN and a molecular weight of 80.93 g/mol. Its IUPAC name is aziridin-1-yl(ethylidene)borane.

Molecular Properties

Compound Nameaziridin-1-yl(ethylidene)borane
PubChem CID175634345
Molecular FormulaC4H8BN
Molecular Weight80.93 g/mol
Exact Mass81.07
IUPAC Nameaziridin-1-yl(ethylidene)borane
SMILESC/C=B/N1CC1
InChIInChI=1S/C4H8BN/c1-2-5-6-3-4-6/h2H,3-4H2,1H3
InChIKeyCWMBSXXVVKORMH-UHFFFAOYSA-N
XLogP-0.26
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.93
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aziridin-1-yl(ethylidene)borane?
The IUPAC name of aziridin-1-yl(ethylidene)borane (CID 175634345) is aziridin-1-yl(ethylidene)borane.
What is the SMILES notation for aziridin-1-yl(ethylidene)borane?
The canonical SMILES for aziridin-1-yl(ethylidene)borane is C/C=B/N1CC1.
What is the InChIKey of aziridin-1-yl(ethylidene)borane?
The InChIKey is CWMBSXXVVKORMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BN/c1-2-5-6-3-4-6/h2H,3-4H2,1H3.
What are the key properties of aziridin-1-yl(ethylidene)borane?
aziridin-1-yl(ethylidene)borane has a molecular weight of 80.93 g/mol, XLogP of -0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aziridin-1-yl(ethylidene)borane is sourced from PubChem (CID 175634345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).