aziridin-1-yl(6-bicyclo[3.1.0]hexanyl)methanone

C9H13NO — CID 130667355

IUPACaziridin-1-yl(6-bicyclo[3.1.0]hexanyl)methanone
SMILESO=C(C1C2CCCC21)N1CC1
InChIInChI=1S/C9H13NO/c11-9(10-4-5-10)8-6-2-1-3-7(6)8/h6-8H,1-5H2
InChIKeyXWWLPYJKQALHFU-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.87
Rot. Bonds1

About aziridin-1-yl(6-bicyclo[3.1.0]hexanyl)methanone

aziridin-1-yl(6-bicyclo[3.1.0]hexanyl)methanone (PubChem CID 130667355) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is aziridin-1-yl(6-bicyclo[3.1.0]hexanyl)methanone.

Molecular Properties

Compound Nameaziridin-1-yl(6-bicyclo[3.1.0]hexanyl)methanone
PubChem CID130667355
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Nameaziridin-1-yl(6-bicyclo[3.1.0]hexanyl)methanone
SMILESO=C(C1C2CCCC21)N1CC1
InChIInChI=1S/C9H13NO/c11-9(10-4-5-10)8-6-2-1-3-7(6)8/h6-8H,1-5H2
InChIKeyXWWLPYJKQALHFU-UHFFFAOYSA-N
XLogP0.87
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.87
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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Frequently Asked Questions

What is the IUPAC name of aziridin-1-yl(6-bicyclo[3.1.0]hexanyl)methanone?
The IUPAC name of aziridin-1-yl(6-bicyclo[3.1.0]hexanyl)methanone (CID 130667355) is aziridin-1-yl(6-bicyclo[3.1.0]hexanyl)methanone.
What is the SMILES notation for aziridin-1-yl(6-bicyclo[3.1.0]hexanyl)methanone?
The canonical SMILES for aziridin-1-yl(6-bicyclo[3.1.0]hexanyl)methanone is O=C(C1C2CCCC21)N1CC1.
What is the InChIKey of aziridin-1-yl(6-bicyclo[3.1.0]hexanyl)methanone?
The InChIKey is XWWLPYJKQALHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c11-9(10-4-5-10)8-6-2-1-3-7(6)8/h6-8H,1-5H2.
What are the key properties of aziridin-1-yl(6-bicyclo[3.1.0]hexanyl)methanone?
aziridin-1-yl(6-bicyclo[3.1.0]hexanyl)methanone has a molecular weight of 151.21 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aziridin-1-yl(6-bicyclo[3.1.0]hexanyl)methanone is sourced from PubChem (CID 130667355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).