1-(3-chlorobut-2-enyl)aziridine

C6H10ClN — CID 71372371

IUPAC1-(3-chlorobut-2-enyl)aziridine
SMILESCC(Cl)=CCN1CC1
InChIInChI=1S/C6H10ClN/c1-6(7)2-3-8-4-5-8/h2H,3-5H2,1H3
InChIKeyOIASQESYXURREP-UHFFFAOYSA-N
MW131.61 g/mol
LogP1.44
Rot. Bonds2

About 1-(3-chlorobut-2-enyl)aziridine

1-(3-chlorobut-2-enyl)aziridine (PubChem CID 71372371) has the molecular formula C6H10ClN and a molecular weight of 131.61 g/mol. Its IUPAC name is 1-(3-chlorobut-2-enyl)aziridine.

Molecular Properties

Compound Name1-(3-chlorobut-2-enyl)aziridine
PubChem CID71372371
Molecular FormulaC6H10ClN
Molecular Weight131.61 g/mol
Exact Mass131.05
IUPAC Name1-(3-chlorobut-2-enyl)aziridine
SMILESCC(Cl)=CCN1CC1
InChIInChI=1S/C6H10ClN/c1-6(7)2-3-8-4-5-8/h2H,3-5H2,1H3
InChIKeyOIASQESYXURREP-UHFFFAOYSA-N
XLogP1.44
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.61
LogP ≤ 51.44
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 1-(3-chlorobut-2-enyl)aziridine?
The IUPAC name of 1-(3-chlorobut-2-enyl)aziridine (CID 71372371) is 1-(3-chlorobut-2-enyl)aziridine.
What is the SMILES notation for 1-(3-chlorobut-2-enyl)aziridine?
The canonical SMILES for 1-(3-chlorobut-2-enyl)aziridine is CC(Cl)=CCN1CC1.
What is the InChIKey of 1-(3-chlorobut-2-enyl)aziridine?
The InChIKey is OIASQESYXURREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN/c1-6(7)2-3-8-4-5-8/h2H,3-5H2,1H3.
What are the key properties of 1-(3-chlorobut-2-enyl)aziridine?
1-(3-chlorobut-2-enyl)aziridine has a molecular weight of 131.61 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorobut-2-enyl)aziridine is sourced from PubChem (CID 71372371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).