1-[(Z)-but-2-enyl]aziridine

C6H11N — CID 5362970

IUPAC1-[(Z)-but-2-enyl]aziridine
SMILESC/C=C\CN1CC1
InChIInChI=1S/C6H11N/c1-2-3-4-7-5-6-7/h2-3H,4-6H2,1H3/b3-2-
InChIKeyBYGZASVDFRUAGE-IHWYPQMZSA-N
MW97.16 g/mol
LogP0.88
Rot. Bonds2

About 1-[(Z)-but-2-enyl]aziridine

1-[(Z)-but-2-enyl]aziridine (PubChem CID 5362970) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 1-[(Z)-but-2-enyl]aziridine.

Molecular Properties

Compound Name1-[(Z)-but-2-enyl]aziridine
PubChem CID5362970
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name1-[(Z)-but-2-enyl]aziridine
SMILESC/C=C\CN1CC1
InChIInChI=1S/C6H11N/c1-2-3-4-7-5-6-7/h2-3H,4-6H2,1H3/b3-2-
InChIKeyBYGZASVDFRUAGE-IHWYPQMZSA-N
XLogP0.88
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-2-enyl]aziridine?
The IUPAC name of 1-[(Z)-but-2-enyl]aziridine (CID 5362970) is 1-[(Z)-but-2-enyl]aziridine.
What is the SMILES notation for 1-[(Z)-but-2-enyl]aziridine?
The canonical SMILES for 1-[(Z)-but-2-enyl]aziridine is C/C=C\CN1CC1.
What is the InChIKey of 1-[(Z)-but-2-enyl]aziridine?
The InChIKey is BYGZASVDFRUAGE-IHWYPQMZSA-N. The full InChI is InChI=1S/C6H11N/c1-2-3-4-7-5-6-7/h2-3H,4-6H2,1H3/b3-2-.
What are the key properties of 1-[(Z)-but-2-enyl]aziridine?
1-[(Z)-but-2-enyl]aziridine has a molecular weight of 97.16 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-enyl]aziridine is sourced from PubChem (CID 5362970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).