1-[(E)-prop-1-enyl]aziridine

C5H9N — CID 5362758

IUPAC1-[(E)-prop-1-enyl]aziridine
SMILESC/C=C/N1CC1
InChIInChI=1S/C5H9N/c1-2-3-6-4-5-6/h2-3H,4-5H2,1H3/b3-2+
InChIKeyBEUWPRGCKSXXRV-NSCUHMNNSA-N
MW83.13 g/mol
LogP0.84
Rot. Bonds1

About 1-[(E)-prop-1-enyl]aziridine

1-[(E)-prop-1-enyl]aziridine (PubChem CID 5362758) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is 1-[(E)-prop-1-enyl]aziridine.

Molecular Properties

Compound Name1-[(E)-prop-1-enyl]aziridine
PubChem CID5362758
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Name1-[(E)-prop-1-enyl]aziridine
SMILESC/C=C/N1CC1
InChIInChI=1S/C5H9N/c1-2-3-6-4-5-6/h2-3H,4-5H2,1H3/b3-2+
InChIKeyBEUWPRGCKSXXRV-NSCUHMNNSA-N
XLogP0.84
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 50.84
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-[(E)-prop-1-enyl]aziridine?
The IUPAC name of 1-[(E)-prop-1-enyl]aziridine (CID 5362758) is 1-[(E)-prop-1-enyl]aziridine.
What is the SMILES notation for 1-[(E)-prop-1-enyl]aziridine?
The canonical SMILES for 1-[(E)-prop-1-enyl]aziridine is C/C=C/N1CC1.
What is the InChIKey of 1-[(E)-prop-1-enyl]aziridine?
The InChIKey is BEUWPRGCKSXXRV-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H9N/c1-2-3-6-4-5-6/h2-3H,4-5H2,1H3/b3-2+.
What are the key properties of 1-[(E)-prop-1-enyl]aziridine?
1-[(E)-prop-1-enyl]aziridine has a molecular weight of 83.13 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-prop-1-enyl]aziridine is sourced from PubChem (CID 5362758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).