1-[(Z)-2-ethoxyethenyl]aziridine

C6H11NO — CID 163981835

IUPAC1-[(Z)-2-ethoxyethenyl]aziridine
SMILESCCO/C=C\N1CC1
InChIInChI=1S/C6H11NO/c1-2-8-6-5-7-3-4-7/h5-6H,2-4H2,1H3/b6-5-
InChIKeySZBNZENEYAZVMK-WAYWQWQTSA-N
MW113.16 g/mol
LogP0.81
Rot. Bonds3

About 1-[(Z)-2-ethoxyethenyl]aziridine

1-[(Z)-2-ethoxyethenyl]aziridine (PubChem CID 163981835) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 1-[(Z)-2-ethoxyethenyl]aziridine.

Molecular Properties

Compound Name1-[(Z)-2-ethoxyethenyl]aziridine
PubChem CID163981835
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name1-[(Z)-2-ethoxyethenyl]aziridine
SMILESCCO/C=C\N1CC1
InChIInChI=1S/C6H11NO/c1-2-8-6-5-7-3-4-7/h5-6H,2-4H2,1H3/b6-5-
InChIKeySZBNZENEYAZVMK-WAYWQWQTSA-N
XLogP0.81
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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)-2-ethoxyethenyl]aziridine?
The IUPAC name of 1-[(Z)-2-ethoxyethenyl]aziridine (CID 163981835) is 1-[(Z)-2-ethoxyethenyl]aziridine.
What is the SMILES notation for 1-[(Z)-2-ethoxyethenyl]aziridine?
The canonical SMILES for 1-[(Z)-2-ethoxyethenyl]aziridine is CCO/C=C\N1CC1.
What is the InChIKey of 1-[(Z)-2-ethoxyethenyl]aziridine?
The InChIKey is SZBNZENEYAZVMK-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-8-6-5-7-3-4-7/h5-6H,2-4H2,1H3/b6-5-.
What are the key properties of 1-[(Z)-2-ethoxyethenyl]aziridine?
1-[(Z)-2-ethoxyethenyl]aziridine has a molecular weight of 113.16 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-ethoxyethenyl]aziridine is sourced from PubChem (CID 163981835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).